--- a
+++ b/5-Datasets/compound_information.txt
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+Metabolite	Description	HMDB	PubChem	ChEBI	KEGG	METLIN	SMILES	Superclass	Class	Subclass	Pathway
+C00357	N-Acetyl-D-Glucosamine 6-Phosphate	HMDB0001062	440996	15784	C00357	5975	CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](OC1O)COP(=O)(O)O)O)O	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates	map00520 Amino sugar and nucleotide sugar metabolism; map01100 Metabolic pathways; map01130 Biosynthesis of antibiotics; map02060 Phosphotransferase system (PTS)
+C00009	Phosphate	HMDB0001429	1061	18367	C00009	3231	[O-]P(=O)([O-])[O-]	Homogeneous non-metal compounds	Non-metal oxoanionic compounds	Non-metal phosphates	map00190 Oxidative phosphorylation; map00195 Photosynthesis; map01100 Metabolic pathways; map02010 ABC transporters; map02020 Two-component system; map02024 Quorum sensing; map04111 Cell cycle - yeast; map04928 Parathyroid hormone synthesis, secretion and action; map04978 Mineral absorption; map05012 Parkinson disease
+C00750	Spermine	HMDB0001256	1103	15746	C00750	255	C(CCNCCCN)CNCCCN	Organic nitrogen compounds	Organonitrogen compounds	Amines	map00330 Arginine and proline metabolism; map00410 beta-Alanine metabolism; map00480 Glutathione metabolism; map01100 Metabolic pathways; map04976 Bile secretion
+HMDB0029222	Urolithin A-3-O-glucuronide	HMDB0029222	NA	89099		NA	OC1C(O)C(OC2=CC=C3C(OC(=O)C4=CC(O)=CC=C34)=C2)OC(C1O)C(O)=O	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates	NA
+HMDB0029266	Kaempferol 3-O-feruloyl-caffeoyl-sophoroside 7-O-glucoside	HMDB0029266	NA	NA		NA	COC1=CC(\C=C\C(=O)OC[C@H]2O[C@@H](O[C@H]3[C@@H](OC4=C(OC5=CC(O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)=CC(O)=C5C4=O)C4=CC=C(O)C=C4)O[C@H](COC(=O)\C=C\C4=CC=C(O)C(O)=C4)[C@@H](O)[C@@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)=CC=C1O	Phenylpropanoids and polyketides	Flavonoids	Flavonoid glycosides	NA
+HMDB0029265	Kaempferol 3-O-sinapoyl-caffeoyl-sophoroside 7-O-glucoside	HMDB0029265	NA	NA		NA	COC1=CC(\C=C\C(=O)OC[C@H]2O[C@@H](O[C@H]3[C@@H](OC4=C(OC5=CC(O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)=CC(O)=C5C4=O)C4=CC=C(O)C=C4)O[C@H](COC(=O)\C=C\C4=CC=C(O)C(O)=C4)[C@@H](O)[C@@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)=CC(OC)=C1O	Phenylpropanoids and polyketides	Flavonoids	Flavonoid glycosides	NA
+HMDB0002429	(3a,5b)-24-oxo-24-[(2-sulfoethyl)amino]cholan-3-yl-b-D-Glucopyranosiduronic acid	HMDB0002429	53477751	NA		6677	C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CCC(C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)C)C	Lipids and lipid-like molecules	Steroids and steroid derivatives	Bile acids, alcohols and derivatives	NA
+HMDB0011700	TG(15:0/16:0/20:2(11Z,14Z))	HMDB0011700	53481032	NA		NA	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC	Lipids and lipid-like molecules	Glycerolipids	Triradylcglycerols	NA
+HMDB0010035	PIP2(16:0/18:0)	HMDB0010035	53480226	NA	C00626	NA	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)O[C@@H]1C([C@@H](C(C(C1O)O)OP(=O)(O)O)OP(=O)(O)O)O	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoinositol phosphates	NA
+HMDB0006994	CDP-DG(18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	HMDB0006994	53477937	NA		NA	CCCCCC/C=C\CCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@@H](C([C@@H](O1)N2C=CC(=NC2=O)N)O)O)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC	Lipids and lipid-like molecules	Glycerophospholipids	CDP-glycerols	NA
+HMDB0011771	Cer(d18:0/26:0)	HMDB0011771	644245	52962		NA	CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@@H](CCCCCCCCCCCCCCC)O	Lipids and lipid-like molecules	Sphingolipids	Ceramides	NA
+HMDB0007122	DG(16:0/24:0/0:0)	HMDB0007122	53478031	NA		NA	CCCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCCCCCCCC	Lipids and lipid-like molecules	Glycerolipids	Diradylglycerols	NA
+HMDB0013406	PC(o-16:0/20:0)	HMDB0013406	24779297	NA		NA	CCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COCCCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C	null	null	null	NA
+HMDB0009707	PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/24:1(15Z))	HMDB0009707	53479982	NA	C00350	NA	CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)COP(=O)(O)OCCN	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines	NA
+HMDB0034375	(3b,5b,22a,25R)-Furostane-22-methoxy-3,26-diol 3-[glucosyl-(1->2)-glucoside] 26-glucoside	HMDB0034375	NA	NA		NA	COC1(CCC(C)COC2OC(CO)C(O)C(O)C2O)OC2CC3C4CCC5CC(CCC5(C)C4CCC3(C)C2C1C)OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O	Lipids and lipid-like molecules	Steroids and steroid derivatives	Steroidal glycosides	NA
+HMDB0032068	Notoginsenoside H	HMDB0032068	NA	NA		NA	CC(C)(O)\C=C\CC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(CC21C)OC1OC(CO)C(O)C(O)C1OC1OCC(O)C(O)C1O	Lipids and lipid-like molecules	Prenol lipids	Triterpenoids	NA
+HMDB0035455	YGM 4B	HMDB0035455	NA	NA		NA	COC1=C(O)C=CC(=C1)C1=[O+]C2=C(C=C1OC1OC(COC(=O)\C=C\C3=CC=C(O)C(O)=C3)C(O)C(O)C1OC1OC(COC(=O)\C=C\C3=CC=C(O)C(O)=C3)C(O)C(O)C1O)C(OC1OC(CO)C(O)C(O)C1O)=CC(O)=C2	Phenylpropanoids and polyketides	Flavonoids	Flavonoid glycosides	NA
+HMDB0007179	DG(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)	HMDB0007179	9543881	NA		NA	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC	Lipids and lipid-like molecules	Glycerolipids	Diradylglycerols	NA
+HMDB0007961	PC(15:0/P-16:0)	HMDB0007961	53478661	NA	C00157	NA	CCCCCCCCCCCCCC/C=C\OC(COC(=O)CCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphocholines	NA
+HMDB0008899	PE(15:0/20:0)	HMDB0008899	446872	NA	C00350	NA	CCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCC)COP(=O)(O)OCCN	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines	NA
+HMDB0029373	Solacauline	HMDB0029373	NA	NA		NA	CC1C2CCC(C)CN2C2CC3C4CC=C5CC(CCC5(C)C4CCC3(C)C12)OC1OCC(OC2OCC(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C1O	Lipids and lipid-like molecules	Steroids and steroid derivatives	Steroidal glycosides	NA
+HMDB0006508	Retinoyl CoA	HMDB0006508	14232703	NA		NA	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C3N=CN=C4N)O)OP(=O)(O)O)O)/C)/C	Lipids and lipid-like molecules	Fatty Acyls	Fatty acyl thioesters	NA
+C16328	trans-2-Enoyl-OPC8-CoA	HMDB0011122	53480664	NA	C16328	NA	CC/C=C\C[C@H]1C(CCC1=O)CCCCC/C=C/C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]2[C@@H](C([C@@H](O2)N3C=NC4=C3N=CN=C4N)O)OP(=O)(O)O)O	null	null	null	map00592 alpha-Linolenic acid metabolism; map01100 Metabolic pathways; map01110 Biosynthesis of secondary metabolites
+C06416	Precorrin 5	METPA0819	NA	NA	C06416	NA	NA	null	null	null	map00860 Porphyrin and chlorophyll metabolism; map01100 Metabolic pathways
+C02567	N1-Acetylspermine	HMDB0001186	916	17312	C02567	3369	CC(=O)NCCCNCCCCNCCCN	Organic acids and derivatives	Carboxylic acids and derivatives	Carboxylic acid derivatives	NULL
+HMDB0007088	DG(15:0/22:2(13Z,16Z)/0:0)	HMDB0007088	53478017	NA		NA	CCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC	Lipids and lipid-like molecules	Glycerolipids	Diradylglycerols	NA
+HMDB0007163	DG(18:0/18:3(9Z,12Z,15Z)/0:0)	HMDB0007163	9543723	NA		NA	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC	Lipids and lipid-like molecules	Fatty Acyls	Lineolic acids and derivatives	NA
+HMDB0013341	PC(o-14:0/16:0)	HMDB0013341	24779275	NA		NA	CCCCCCCCCCCCCCCC(=O)O[C@H](COCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C	null	null	null	NA
+C06912	Clarithromycin	HMDB0015342	84029	3732	C06912	NA	CC[C@@H]1[C@@]([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)OC)C)C)O)(C)O	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates	NULL
+HMDB0012312	3-O-Sulfogalactosylceramide (d18:1/14:0)	HMDB0012312	53481402	NA	C06125	NA	CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO[C@H]1C(C([C@H]([C@H](O1)CO)O)OS(=O)(=O)O)O)NC(=O)CCCCCCCCCCCCC)O	Lipids and lipid-like molecules	Sphingolipids	Glycosphingolipids	NA
+C01375	Tacrolimus	HMDB0015002	445643	61049	C01375	NA	C[C@@H]1C[C@@H]([C@@H]2[C@H](C[C@H]([C@@](O2)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@@H]([C@@H]([C@H](CC(=O)[C@@H](/C=C(/C1)\C)CC=C)O)C)/C(=C/[C@@H]4CC[C@H]([C@@H](C4)OC)O)/C)O)C)OC)OC	null	null	null	map01052 Type I polyketide structures
+C00135	L-Histidine	HMDB0000177	6274	15971	C00135	21	C1=C(NC=N1)C[C@@H](C(=O)O)N	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	map00340 Histidine metabolism; map00410 beta-Alanine metabolism; map00970 Aminoacyl-tRNA biosynthesis; map01060 Biosynthesis of plant secondary metabolites; map01065 Biosynthesis of alkaloids derived from histidine and purine; map01100 Metabolic pathways; map01110 Biosynthesis of secondary metabolites; map01230 Biosynthesis of amino acids; map02010 ABC transporters; map04974 Protein digestion and absorption; map05230 Central carbon metabolism in cancer
+HMDB0011767	Cer(d18:0/23:0)	HMDB0011767	53481049	NA		NA	CCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@@H](CCCCCCCCCCCCCCC)O	Lipids and lipid-like molecules	Sphingolipids	Ceramides	NA
+C00245	Taurine	HMDB0000251	1123	15891	C00245	31	C(CS(=O)(=O)O)N	Organic acids and derivatives	Organic sulfonic acids and derivatives	Organosulfonic acids and derivatives	map00120 Primary bile acid biosynthesis; map00430 Taurine and hypotaurine metabolism; map00920 Sulfur metabolism; map01100 Metabolic pathways; map02010 ABC transporters; map04080 Neuroactive ligand-receptor interaction
+HMDB0014769	Clofarabine	HMDB0014769	119182	681569		NA	C1=NC2=C(N1[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)F)N=C(N=C2N)Cl	Nucleosides, nucleotides, and analogues	Purine nucleosides	Purine 2'-deoxyribonucleosides	NA
+C00392	Mannitol	HMDB0000765	6251	16899	C00392	142	C([C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)O	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates	map00051 Fructose and mannose metabolism; map02010 ABC transporters; map02060 Phosphotransferase system (PTS)
+HMDB0030928	Tridecanal	HMDB0030928	25311	NA		NA	CCCCCCCCCCCCC=O	Lipids and lipid-like molecules	Fatty Acyls	Fatty aldehydes	NA
+HMDB0029954	D-glycero-L-galacto-Octulose	HMDB0029954	NA	NA		NA	OCC(O)C1OC(O)(CO)C(O)C(O)C1O	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates	NA
+C02076	Sedoheptulose	HMDB0003219	102926	130460	C02076	3344	C(C(C(C(C(C(=O)CO)O)O)O)O)O	null	null	null	map00710 Carbon fixation in photosynthetic organisms
+HMDB0003152	N-Methylnicotinamide	HMDB0003152	64950	64399		NA	CNC(=O)C1=CN=CC=C1	Organoheterocyclic compounds	Pyridines and derivatives	Pyridinecarboxylic acids and derivatives	NA
+C00318	L-Carnitine	HMDB0000062	2724480	11060	C00318	52	C[N+](C)(C)C[C@H](CC(=O)[O-])O	Organic nitrogen compounds	Organonitrogen compounds	Quaternary ammonium salts	map04714 Thermogenesis; map04976 Bile secretion
+HMDB0033556	2,5-Dimethyl-1,4-dithiane-2,5-diol	HMDB0033556	62105	NA		NA	CC1(CSC(CS1)(C)O)O	Organoheterocyclic compounds	Dithianes	null	NA
+C07062	Ketorolac	HMDB0014608	3826	105080	C07062	NA	C1CN2C(=CC=C2C(=O)C3=CC=CC=C3)C1C(=O)O	Organic oxygen compounds	Organooxygen compounds	Carbonyl compounds	NULL
+C00791	Creatinine	HMDB0000562	588	16737	C00791	8	CN1CC(=O)N=C1N	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	map00330 Arginine and proline metabolism; map01100 Metabolic pathways
+C03087	5-Acetamidovalerate	HMDB0012175	439903	NA	C03087	NA	CC(=O)NCCCCC(=O)O	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	map00310 Lysine degradation
+C02220	2-Aminomuconic acid	HMDB0001241	5280499	15745	C02220	321	C(=C\C(=O)O)\C=C(/C(=O)O)\N	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	map00380 Tryptophan metabolism; map01100 Metabolic pathways
+HMDB0001904	3-Nitrotyrosine	HMDB0001904	65124	44454		6383	C1=CC(=C(C=C1C[C@@H](C(=O)O)N)[N+](=O)[O-])O	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	NA
+C01630	Xylobiose	HMDB0029894	NA	NA	C01630	NA	O[C@@H]1CO[C@@H](O[C@H]2COC(O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O	null	null	null	map02010 ABC transporters
+HMDB0000793	Monoiodothyronine	HMDB0000793	53477717	NA		5758	C1=CC(=CC=C1O)OC2=C(C=C(C=C2)C[C@H](C(=O)O)N)I	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	NA
+C00510	Oleoyl-CoA	HMDB0001322	5280355	15534	C00510	6159	CCCCCCCC/C=C\CCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)O	null	null	null	map01040 Biosynthesis of unsaturated fatty acids; map01212 Fatty acid metabolism
+C00300	Creatine	HMDB0000064	586	16919	C00300	7	CN(CC(=O)O)C(=N)N	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	map00260 Glycine, serine and threonine metabolism; map00330 Arginine and proline metabolism; map01100 Metabolic pathways
+C01004	Trigonelline	HMDB0000875	5570	18123	C01004	273	C[N+]1=CC=CC(=C1)C(=O)[O-]	Alkaloids and derivatives	null	null	map00760 Nicotinate and nicotinamide metabolism
+C01239	N-Acetyl-b-glucosaminylamine	HMDB0001104	439454	15947	C01239	6006	CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1N)CO)O)O	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates	NULL
+HMDB0002061	Hyaluronic acid	HMDB0002061	53477741	NA	C00518	NA	CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OC)CO)O)OC2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)OC)O)O	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates	NA
+HMDB0002060	O-6-deoxy-a-L-galactopyranosyl-(1->2)-O-b-D-galactopyranosyl-(1->3)-2-(acetylamino)-2-deoxy-D-Galactose	HMDB0002060	22833580	NA		NA	C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H]([C@H]([C@H](O[C@H]2O[C@H]([C@H](C=O)NC(=O)C)[C@H]([C@@H](CO)O)O)CO)O)O)O)O)O	Lipids and lipid-like molecules	Fatty Acyls	Fatty acyl glycosides	NA
+HMDB0030043	Isoaustin	HMDB0030043	NA	NA		NA	CC1OC(=O)C23C(=C)C(C)(CC4=C(C)C5(C=CC(=O)OC5(C)C)C(CC24C)OC(C)=O)OC(=O)C13O	Organic acids and derivatives	Carboxylic acids and derivatives	Tetracarboxylic acids and derivatives	NA
+C00041	L-Alanine	HMDB0000161	5950	16977	C00041	NA	C[C@@H](C(=O)O)N	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	map00250 Alanine, aspartate and glutamate metabolism; map00270 Cysteine and methionine metabolism; map00430 Taurine and hypotaurine metabolism; map00450 Selenocompound metabolism; map00473 D-Alanine metabolism; map00710 Carbon fixation in photosynthetic organisms; map00970 Aminoacyl-tRNA biosynthesis; map01060 Biosynthesis of plant secondary metabolites; map01100 Metabolic pathways; map01120 Microbial metabolism in diverse environments; map01200 Carbon metabolism; map01230 Biosynthesis of amino acids; map01502 Vancomycin resistance; map02010 ABC transporters; map04122 Sulfur relay system; map04974 Protein digestion and absorption; map04978 Mineral absorption; map05230 Central carbon metabolism in cancer
+C00148	L-Proline	HMDB0000162	145742	17203	C00148	29	C1C[C@H](NC1)C(=O)O	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	map00330 Arginine and proline metabolism; map00332 Carbapenem biosynthesis; map00333 Prodigiosin biosynthesis; map00401 Novobiocin biosynthesis; map00404 Staurosporine biosynthesis; map00970 Aminoacyl-tRNA biosynthesis; map01100 Metabolic pathways; map01110 Biosynthesis of secondary metabolites; map01130 Biosynthesis of antibiotics; map01230 Biosynthesis of amino acids; map02010 ABC transporters; map04974 Protein digestion and absorption; map04978 Mineral absorption; map05230 Central carbon metabolism in cancer
+C00507	Rhamnose	HMDB0000849	25310	62346	C00507	5812	C[C@H]1[C@@H]([C@H]([C@H](C(O1)O)O)O)O	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates	map00051 Fructose and mannose metabolism; map01120 Microbial metabolism in diverse environments
+HMDB0005767	Homoanserine	HMDB0005767	20849429	NA		NA	CN1C=NC=C1C[C@@H](C(=O)O)NC(=O)CCCN	Organic acids and derivatives	Peptidomimetics	Hybrid peptides	NA
+C05131	Imidazoleacetic acid riboside	HMDB0002331	440569	NA	C05131	6626	C1=C(N=CN1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)CC(=O)O	Nucleosides, nucleotides, and analogues	Imidazole ribonucleosides and ribonucleotides	null	map00340 Histidine metabolism
+C00352	Glucosamine 6-phosphate	HMDB0001254	439217	15873	C00352	6111	C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)N)O)O)OP(=O)(O)O	null	null	null	map00250 Alanine, aspartate and glutamate metabolism; map00520 Amino sugar and nucleotide sugar metabolism; map01100 Metabolic pathways; map01130 Biosynthesis of antibiotics; map02060 Phosphotransferase system (PTS); map04931 Insulin resistance
+C07630	Sulfadoxine	HMDB0015413	17134	9329	C07630	NA	COC1=C(N=CN=C1OC)NS(=O)(=O)C2=CC=C(C=C2)N	Benzenoids	Benzene and substituted derivatives	Benzenesulfonamides	NULL
+C04547	1,2-Bis(4-hydroxy-3-methoxyphenyl)ethylene	HMDB0032847	9548762	36391	C04547	NA	COC1=C(C=CC(=C1)/C=C\C2=CC(=C(C=C2)O)OC)O	Phenylpropanoids and polyketides	Stilbenes	null	NULL
+C00051	Glutathione	HMDB0000125	124886	16856	C00051	44	C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N	null	null	null	map00270 Cysteine and methionine metabolism; map00480 Glutathione metabolism; map01100 Metabolic pathways; map02010 ABC transporters; map04216 Ferroptosis; map04918 Thyroid hormone synthesis; map04976 Bile secretion
+HMDB0034767	(1R*,3R*,3'S*)-1,2,3,4-Tetrahydro-1-(2-thio-3-pyrrolidinyl)-beta-carboline-3-carboxylic acid	HMDB0034767	3004297	NA		NA	C1CNC(=S)C1C2C3=C(CC(N2)C(=O)O)C4=CC=CC=C4N3	Alkaloids and derivatives	Harmala alkaloids	null	NA
+HMDB0032808	Niazirinin	HMDB0032808	NA	NA		NA	CC1OC(OC2=CC=C(CC#N)C=C2)C(O)C(O)C1OC(C)=O	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates	NA
+C00555	4-Aminobutyraldehyde	HMDB0001080	118	17769	C00555	3225	C(CC=O)CN	null	null	null	map00330 Arginine and proline metabolism; map00410 beta-Alanine metabolism; map01100 Metabolic pathways
+C00183	L-Valine	HMDB0000883	6287	16414	C00183	5842	CC(C)[C@@H](C(=O)O)N	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	map00280 Valine, leucine and isoleucine degradation; map00290 Valine, leucine and isoleucine biosynthesis; map00311 Penicillin and cephalosporin biosynthesis; map00460 Cyanoamino acid metabolism; map00770 Pantothenate and CoA biosynthesis; map00966 Glucosinolate biosynthesis; map00970 Aminoacyl-tRNA biosynthesis; map01060 Biosynthesis of plant secondary metabolites; map01063 Biosynthesis of alkaloids derived from shikimate pathway; map01100 Metabolic pathways; map01110 Biosynthesis of secondary metabolites; map01130 Biosynthesis of antibiotics; map01210 2-Oxocarboxylic acid metabolism; map01230 Biosynthesis of amino acids; map02010 ABC transporters; map04974 Protein digestion and absorption; map04978 Mineral absorption; map05230 Central carbon metabolism in cancer
+C03343	Monoethylhexyl phthalic acid	HMDB0013248	20393	17243	C03343	NA	CCCCC(CC)COC(=O)C1=CC=CC=C1C(=O)O	Benzenoids	Benzene and substituted derivatives	Benzoic acids and derivatives	NULL
+C03413	N1,N12-Diacetylspermine	HMDB0002172	132680	28101	C03413	6525	CC(=O)NCCCNCCCCNCCCNC(=O)C	Organic acids and derivatives	Carboximidic acids and derivatives	Carboximidic acids	NULL
+HMDB0014536	Ethopropazine	HMDB0014536	3290	313639		NA	CCN(CC)C(C)CN1C2=CC=CC=C2SC3=CC=CC=C31	Organoheterocyclic compounds	Benzothiazines	Phenothiazines	NA
+C17079	3-Bromotyrosine	HMDB0005874	148708	NA	C17079	NA	C1=CC(=C(C=C1CC(C(=O)O)N)Br)O	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	NULL
+C05401	Galactosylglycerol	HMDB0006790	656504	15754	C05401	NA	C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)OCC(CO)O)O)O)O)O	null	null	null	map00052 Galactose metabolism; map00561 Glycerolipid metabolism
+HMDB0028722	Arginyl-Valine	HMDB0028722	NA	NA		NA	CC(C)C(NC(=O)C(N)CCCNC(N)=N)C(O)=O	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	NA
+C01613	Stachyose	HMDB0003553	439531	17164	C01613	6951	C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OC[C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)OC[C@@H]3[C@H]([C@@H]([C@H]([C@H](O3)O[C@]4([C@H]([C@@H]([C@H](O4)CO)O)O)CO)O)O)O)O)O)O)O)O)O)O	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates	map00052 Galactose metabolism
+C00153	Niacinamide	HMDB0001406	936	17154	C00153	1497	C1=CC(=CN=C1)C(=O)N	Organoheterocyclic compounds	Pyridines and derivatives	Pyridinecarboxylic acids and derivatives	map00760 Nicotinate and nicotinamide metabolism; map01100 Metabolic pathways; map04212 Longevity regulating pathway - worm; map04977 Vitamin digestion and absorption
+C00506	Cysteic acid	HMDB0002757	25701	21260	C00506	332	C(C(C(=O)O)N)S(=O)(=O)O	null	null	null	map00270 Cysteine and methionine metabolism; map00430 Taurine and hypotaurine metabolism; map01100 Metabolic pathways; map04080 Neuroactive ligand-receptor interaction
+C00666	Diaminopimelic acid	HMDB0001370	439283	16026	C00666	352	C(C[C@@H](C(=O)O)N)C[C@@H](C(=O)O)N	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	map00300 Lysine biosynthesis; map01100 Metabolic pathways; map01110 Biosynthesis of secondary metabolites; map01120 Microbial metabolism in diverse environments; map01130 Biosynthesis of antibiotics; map01230 Biosynthesis of amino acids
+C05380	Nicotinuric acid	HMDB0003269	68499	7563	C05380	1499	C1=CC(=CN=C1)C(=O)NCC(=O)O	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	map00760 Nicotinate and nicotinamide metabolism
+C00906	Dihydrothymine	HMDB0000079	93556	27468	C00906	5135	CC1CNC(=O)NC1=O	Organoheterocyclic compounds	Diazines	Pyrimidines and pyrimidine derivatives	NULL
+C00073	L-Methionine	HMDB0000696	6137	16643	C00073	5664	CSCC[C@@H](C(=O)O)N	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	map00270 Cysteine and methionine metabolism; map00966 Glucosinolate biosynthesis; map00970 Aminoacyl-tRNA biosynthesis; map01060 Biosynthesis of plant secondary metabolites; map01070 Biosynthesis of plant hormones; map01100 Metabolic pathways; map01110 Biosynthesis of secondary metabolites; map01210 2-Oxocarboxylic acid metabolism; map01230 Biosynthesis of amino acids; map01523 Antifolate resistance; map04974 Protein digestion and absorption; map04978 Mineral absorption; map05230 Central carbon metabolism in cancer
+C00253	Nicotinic acid	HMDB0001488	938	15940	C00253	6272	C1=CC(=CN=C1)C(=O)O	Organoheterocyclic compounds	Pyridines and derivatives	Pyridinecarboxylic acids and derivatives	map00760 Nicotinate and nicotinamide metabolism; map00960 Tropane, piperidine and pyridine alkaloid biosynthesis; map01060 Biosynthesis of plant secondary metabolites; map01064 Biosynthesis of alkaloids derived from ornithine, lysine and nicotinic acid; map01100 Metabolic pathways; map01110 Biosynthesis of secondary metabolites; map01120 Microbial metabolism in diverse environments; map05133 Pertussis
+C07139	Ticarcillin	HMDB0015545	36921	9587	C07139	NA	CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CSC=C3)C(=O)O)C(=O)O)C	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	NULL
+HMDB0031513	(?±)-3-Hydroxynonanoic acid	HMDB0031513	36599	NA		NA	CCCCCCC(CC(=O)O)O	Organic acids and derivatives	Hydroxy acids and derivatives	Medium-chain hydroxy acids and derivatives	NA
+HMDB0029200	Ferulic acid 4-sulfate	HMDB0029200	6305574	133508		NA	COC1=C(C=CC(=C1)/C=C/C(=O)O)OS(=O)(=O)O	Phenylpropanoids and polyketides	Cinnamic acids and derivatives	Hydroxycinnamic acids and derivatives	NA
+HMDB0030552	Thelephoric acid	HMDB0030552	NA	NA		NA	OC1=CC2=C(C=C1O)C1=C(O2)C(=O)C2=C(OC3=C2C=C(O)C(O)=C3)C1=O	Organoheterocyclic compounds	Benzofurans	null	NA
+C15699	Gamma-glutamyl-L-putrescine	HMDB0012230	20841830	48005	C15699	NA	C(CCNC(=O)CC[C@@H](C(=O)O)N)CN	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	map00330 Arginine and proline metabolism; map01100 Metabolic pathways
+C01801	Deoxyribose	HMDB0003224	22833604	28816	C01801	3258	C1[C@H]([C@@H](O[C@@H]1O)CO)O	null	null	null	map00030 Pentose phosphate pathway
+HMDB0028700	Alanyl-Valine	HMDB0028700	NA	NA		NA	CC(C)[C@H](NC(=O)[C@H](C)N)C(O)=O	null	null	null	NA
+C01234	1-Aminocyclopropanecarboxylic acid	HMDB0036458	NA	67	C01234	NA	NC1(CC1)C(O)=O	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	map00270 Cysteine and methionine metabolism; map01060 Biosynthesis of plant secondary metabolites; map01070 Biosynthesis of plant hormones; map01100 Metabolic pathways; map01110 Biosynthesis of secondary metabolites
+C00956	Aminoadipic acid	HMDB0000510	469	37024	C00956	5496	C(CC(C(=O)O)N)CC(=O)O	null	null	null	map00300 Lysine biosynthesis; map00310 Lysine degradation; map00311 Penicillin and cephalosporin biosynthesis; map01100 Metabolic pathways; map01110 Biosynthesis of secondary metabolites; map01130 Biosynthesis of antibiotics; map01210 2-Oxocarboxylic acid metabolism; map01230 Biosynthesis of amino acids
+C00314	Pyridoxine	HMDB0000239	1054	16709	C00314	5245	CC1=NC=C(C(=C1O)CO)CO	Organoheterocyclic compounds	Pyridines and derivatives	Pyridoxines	map00750 Vitamin B6 metabolism; map01100 Metabolic pathways; map01120 Microbial metabolism in diverse environments
+C15471	Bismuth	HMDB0002196	105143	33301	C15471	NA	[Bi+3]	null	null	null	NULL
+C00491	L-Cystine	HMDB0000192	67678	16283	C00491	5207	C([C@@H](C(=O)O)N)SSC[C@@H](C(=O)O)N	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	map00270 Cysteine and methionine metabolism; map01100 Metabolic pathways; map02010 ABC transporters; map04216 Ferroptosis; map04974 Protein digestion and absorption
+C03149	N-Phosphotaurocyamine	METPA0364	NA	NA	C03149	NA	NA	null	null	null	map00430 Taurine and hypotaurine metabolism
+HMDB0029243	Cyanidin 3-O-(6''-malonyl-arabinoside)	HMDB0029243	NA	NA		NA	O[C@@H]1[C@@H](COC(=O)CC(O)=O)O[C@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)[C@H]1O	Phenylpropanoids and polyketides	Flavonoids	Flavonoid glycosides	NA
+C02230	3-Methylguanine	HMDB0001566	76292	27564	C02230	NA	CN1C2=C(C(=O)N=C1N)NC=N2	Organoheterocyclic compounds	Imidazopyrimidines	Purines and purine derivatives	NULL
+C08126	Penicillin V	HMDB0014561	6869	27446	C08126	NA	CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)COC3=CC=CC=C3)C(=O)O)C	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	NULL
+C00872	Aminomalonic acid	HMDB0001147	100714	17475	C00872	NA	C(C(=O)O)(C(=O)O)N	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	NULL
+HMDB0032147	Geranylcitronellol	HMDB0032147	5365870	NA		NA	CC(CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)CCO	Lipids and lipid-like molecules	Prenol lipids	Diterpenoids	NA
+C01530	Stearic acid	HMDB0000827	5281	28842	C01530	189	CCCCCCCCCCCCCCCCCC(=O)O	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	map00061 Fatty acid biosynthesis; map01040 Biosynthesis of unsaturated fatty acids; map01060 Biosynthesis of plant secondary metabolites; map04745 Phototransduction - fly
+HMDB0011131	MG(18:0/0:0/0:0)	HMDB0011131	15560610	NA		NA	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)O	Lipids and lipid-like molecules	Glycerolipids	Monoradylglycerols	NA
+HMDB0031678	Pipericine	HMDB0031678	9974234	NA		NA	CCCCCCCCCCCCC/C=C/C=C/C(=O)NCC(C)C	Lipids and lipid-like molecules	Fatty Acyls	Fatty amides	NA
+HMDB0035570	6,8-Heneicosanedione	HMDB0035570	NA	NA		NA	CCCCCCCCCCCCCC(=O)CC(=O)CCCCC	Organic oxygen compounds	Organooxygen compounds	Carbonyl compounds	NA
+C06824	Amitriptyline	HMDB0014466	2160	2666	C06824	NA	CN(C)CCC=C1C2=CC=CC=C2CCC3=CC=CC=C31	Benzenoids	Dibenzocycloheptenes	null	NULL
+C17333	3 beta-Hydroxy-5-cholestenoate	HMDB0012453	53481407	NA	C17333	NA	C[C@H](CCCC(C)C(=O)O)C1CCC2[C@@]1(CCC3C2CC=C4[C@@]3(CC[C@@H](C4)O)C)C	null	null	null	map00120 Primary bile acid biosynthesis
+HMDB0034373	N-(14-Methylhexadecanoyl)pyrrolidine	HMDB0034373	6430518	NA		NA	CCC(C)CCCCCCCCCCCCC(=O)N1CCCC1	Organoheterocyclic compounds	Pyrrolidines	N-acylpyrrolidines	NA
+HMDB0006460	Arachidyl carnitine	HMDB0006460	53477833	73100		NA	CCCCCCCCCCCCCCCCCCCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C	Lipids and lipid-like molecules	Fatty Acyls	Fatty acid esters	NA
+C08796	Cucurbitacin D	HMDB0034695	5353546	NA	C08796	NA	CC1(C2=CCC3C4(CC(C(C4(CC(=O)C3(C2CC(C1=O)O)C)C)C(C)(C(=O)/C=C/C(C)(C)O)O)O)C)C	null	null	null	NULL
+C00114	Choline	HMDB0000097	305	15354	C00114	56	C[N+](C)(C)CCO	Organic nitrogen compounds	Organonitrogen compounds	Quaternary ammonium salts	map00260 Glycine, serine and threonine metabolism; map00564 Glycerophospholipid metabolism; map01100 Metabolic pathways; map02010 ABC transporters; map04725 Cholinergic synapse; map04976 Bile secretion; map05231 Choline metabolism in cancer
+C00129	Isopentenyl pyrophosphate	HMDB0001347	1195	16584	C00129	6181	CC(=C)CCOP(=O)(O)OP(=O)(O)O	Lipids and lipid-like molecules	Prenol lipids	Isoprenoid phosphates	map00900 Terpenoid backbone biosynthesis; map01060 Biosynthesis of plant secondary metabolites; map01062 Biosynthesis of terpenoids and steroids; map01070 Biosynthesis of plant hormones; map01100 Metabolic pathways; map01110 Biosynthesis of secondary metabolites; map01130 Biosynthesis of antibiotics; map04216 Ferroptosis
+HMDB0011543	MG(0:0/20:1(11Z)/0:0)	HMDB0011543	53480963	NA		NA	CCCCCCCC/C=C\CCCCCCCCCC(=O)OC(CO)CO	Lipids and lipid-like molecules	Endocannabinoids	null	NA
+HMDB0010167	PS(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	HMDB0010167	24779546	NA	C02737	NA	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoserines	NA
+C11285	Tridemorph	HMDB0031810	32518	NA	C11285	NA	CCCCCCCCCCCCCN1CC(OC(C1)C)C	Organoheterocyclic compounds	Oxazinanes	Morpholines	NULL
+HMDB0030594	Edulisin I	HMDB0030594	NA	NA		NA	CC(C)=CC(=O)OC1C(OC2=C1C1=C(C=C2)C=CC(=O)O1)C(C)(C)OC(=O)\C=C\C1=CC=C(O)C=C1	Phenylpropanoids and polyketides	Coumarins and derivatives	Furanocoumarins	NA
+HMDB0028893	Histidinyl-Proline	HMDB0028893	NA	NA		NA	NC(CC1=CN=CN1)C(=O)N1CCCC1C(O)=O	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	NA
+HMDB0011533	MG(0:0/16:0/0:0)	HMDB0011533	123409	840954		NA	CCCCCCCCCCCCCCCC(=O)OC(CO)CO	Lipids and lipid-like molecules	Glycerolipids	Monoradylglycerols	NA
+C02140	Corticosterone	HMDB0001547	5753	16827	C02140	6314	C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@H]4C(=O)CO)C)O	Lipids and lipid-like molecules	Steroids and steroid derivatives	Hydroxysteroids	map00140 Steroid hormone biosynthesis; map01100 Metabolic pathways; map04923 Regulation of lipolysis in adipocytes; map04925 Aldosterone synthesis and secretion; map05020 Prion diseases
+HMDB0015669	Drotaverine	HMDB0015669	1712095	665387		NA	CCOC1=C(C=C(C=C1)/C=C\2/C3=CC(=C(C=C3CCN2)OCC)OCC)OCC	Organoheterocyclic compounds	Tetrahydroisoquinolines	null	NA
+HMDB0035007	Lucuminic acid	HMDB0035007	NA	NA		NA	OC1COC(OCC2OC(OC(C(O)=O)C3=CC=CC=C3)C(O)C(O)C2O)C(O)C1O	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates	NA
+HMDB0032521	Stearyl citrate	HMDB0032521	11612014	NA		NA	CCCCCCCCCCCCCCCCCCOC(=O)CC(CC(=O)O)(C(=O)O)O	Organic acids and derivatives	Carboxylic acids and derivatives	Tricarboxylic acids and derivatives	NA
+HMDB0034539	3-O-cis-Coumaroylmaslinic acid	HMDB0034539	5316120	NA		NA	CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)C)OC(=O)/C=C\C6=CC=C(C=C6)O)O)C)C)C2C1)C)C(=O)O)C	Lipids and lipid-like molecules	Prenol lipids	Triterpenoids	NA
+HMDB0029961	Annomuricin A	HMDB0029961	157682	NA		NA	CCCCCCCCCCCCC(C1CCC(O1)C(CCCC(C(CCCCCC(CC2=CC(OC2=O)C)O)O)O)O)O	Lipids and lipid-like molecules	Fatty Acyls	Fatty alcohols	NA
+HMDB0007698	DG(22:4(7Z,10Z,13Z,16Z)/22:4(7Z,10Z,13Z,16Z)/0:0)	HMDB0007698	9543963	NA		NA	CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)OC[C@H](CO)OC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC	Lipids and lipid-like molecules	Glycerolipids	Diradylglycerols	NA
+C14833	9,12,13-TriHOME	HMDB0004708	9858729	NA	C14833	NA	CCCCC[C@@H]([C@H](/C=C/[C@H](CCCCCCCC(=O)O)O)O)O	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	map00591 Linoleic acid metabolism
+HMDB0007074	DG(15:0/18:2(9Z,12Z)/0:0)	HMDB0007074	14275369	NA		NA	CCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC	Lipids and lipid-like molecules	Fatty Acyls	Lineolic acids and derivatives	NA
+HMDB0031414	2,3-Dimethyl-2-cyclohexen-1-one	HMDB0031414	10887898	NA		NA	CC1=C(C(=O)CCC1)C	Organooxygen compounds	Carbonyl compounds	Ketones	NA
+HMDB0030002	(-)-Nopol	HMDB0030002	31408	525644		NA	CC1(C2CC=C(C1C2)CCO)C	Lipids and lipid-like molecules	Prenol lipids	Monoterpenoids	NA
+C03527	4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-2-butanone	HMDB0032913	519382	18015	C03527	NA	CC1=C(C(CCC1)(C)C)CCC(=O)C	Lipids and lipid-like molecules	Prenol lipids	Sesquiterpenoids	NULL
+C07401	Procainamide	HMDB0015169	4913	8428	C07401	NA	CCN(CC)CCNC(=O)C1=CC=C(C=C1)N	Benzenoids	Benzene and substituted derivatives	Benzoic acids and derivatives	NULL
+C01126	Farnesol	HMDB0004305	445070	16619	C01126	7048	CC(=CCC/C(=C/CC/C(=C/CO)/C)/C)C	null	null	null	map00900 Terpenoid backbone biosynthesis; map00909 Sesquiterpenoid and triterpenoid biosynthesis; map00981 Insect hormone biosynthesis; map01110 Biosynthesis of secondary metabolites; map01130 Biosynthesis of antibiotics
+HMDB0006736	CE(20:3(8Z,11Z,14Z))	HMDB0006736	53477892	NA	C02530	NA	CCCCC/C=C\C/C=C\C/C=C\CCCCCCC(=O)O[C@H]1CC[C@@]2(C3CC[C@]4(C(C3CC=C2C1)CCC4[C@H](C)CCCC(C)C)C)C	Lipids and lipid-like molecules	Steroids and steroid derivatives	Steroid esters	NA
+HMDB0008988	PE(18:0/15:0)	HMDB0008988	52924324	NA	C00350	NA	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCCC	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines	NA
+HMDB0008838	PE(14:0/20:4(5Z,8Z,11Z,14Z))	HMDB0008838	52924939	NA	C00350	NA	CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines	NA
+HMDB0013405	PC(o-16:0/18:0)	HMDB0013405	11803170	NA		NA	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COCCCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C	null	null	null	NA
+HMDB0008189	PC(18:3(6Z,9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	HMDB0008189	52922819	NA	C00157	NA	CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphocholines	NA
+HMDB0002337	Homophytanic acid	HMDB0002337	3080668	NA		6630	CC(C)CCCC(C)CCCC(C)CCCC(C)CCC(=O)O	Lipids and lipid-like molecules	Prenol lipids	Diterpenoids	NA
+C00486	Bilirubin	HMDB0000054	5280352	16990	C00486	81	CC1=C(NC(=C1CCC(=O)O)CC2=C(C(=C(N2)/C=C\3/C(=C(C(=O)N3)C)C=C)C)CCC(=O)O)/C=C\4/C(=C(C(=O)N4)C=C)C	Organic compounds	Organoheterocyclic compounds	Tetrapyrroles and derivatives	map00860 Porphyrin and chlorophyll metabolism; map01100 Metabolic pathways; map01110 Biosynthesis of secondary metabolites; map04976 Bile secretion
+C01561	Calcidiol	HMDB0003550	5283731	17933	C01561	6949	C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](CCC3=C)O)C	Lipids and lipid-like molecules	Steroids and steroid derivatives	Vitamin D and derivatives	map00100 Steroid biosynthesis; map01100 Metabolic pathways; map04928 Parathyroid hormone synthesis, secretion and action; map05152 Tuberculosis
+C00836	Sphinganine	HMDB0000269	91486	16566	C00836	5268	CCCCCCCCCCCCCCC[C@H]([C@H](CO)N)O	Organic nitrogen compounds	Organonitrogen compounds	Amines	map00600 Sphingolipid metabolism; map01100 Metabolic pathways; map04071 Sphingolipid signaling pathway
+C08775	Obacunone	HMDB0035858	500031	NA	C08775	NA	CC1(C2CC(=O)C3(C(C2(C=CC(=O)O1)C)CCC4(C35C(O5)C(=O)OC4C6=COC=C6)C)C)C	null	null	null	NULL
+HMDB0031742	4-(2-Nitroethyl)phenyl primeveroside	HMDB0031742	NA	NA		NA	OC1COC(OCC2OC(OC3=CC=C(CCN(=O)=O)C=C3)C(O)C(O)C2O)C(O)C1O	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates	NA
+HMDB0012095	SM(d18:0/24:1(15Z))	HMDB0012095	44260133	17636	C00550	NA	CCCCCCCCCCCCCCC[C@H]([C@H](COP(=O)([O-])OCC[N+](C)(C)C)NC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC)O	Lipids and lipid-like molecules	Sphingolipids	Phosphosphingolipids	NA
+C00187	Cholesterol	HMDB0000067	11025495	1307929	C00187	163	C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CCC(C4)O)C)C	Lipids and lipid-like molecules	Steroids and steroid derivatives	Cholestane steroids	map00100 Steroid biosynthesis; map00120 Primary bile acid biosynthesis; map00140 Steroid hormone biosynthesis; map00981 Insect hormone biosynthesis; map00984 Steroid degradation; map01066 Biosynthesis of alkaloids derived from terpenoid and polyketide; map01100 Metabolic pathways; map01120 Microbial metabolism in diverse environments; map04913 Ovarian steroidogenesis; map04925 Aldosterone synthesis and secretion; map04927 Cortisol synthesis and secretion; map04934 Cushing syndrome; map04975 Fat digestion and absorption; map04976 Bile secretion; map04977 Vitamin digestion and absorption; map04979 Cholesterol metabolism; map05200 Pathways in cancer; map05217 Basal cell carcinoma
+HMDB0007382	DG(20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)	HMDB0007382	9543922	NA		NA	CCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC	Lipids and lipid-like molecules	Glycerolipids	Diradylglycerols	NA
+HMDB0030494	Spirolide E	HMDB0030494	NA	NA		NA	CCC(O)C(\C)=C\C1C(C)=C(CCC1(CCC(C)CN)C(=O)CCCC(=C)CC1CCC(C)(O)C2(CCC3(CC(C)CO3)O2)O1)C1OC(=O)C(C)=C1	Lipids and lipid-like molecules	Prenol lipids	Terpene lactones	NA
+C08794	Cucurbitacin B	HMDB0034927	5353545	NA	C08794	NA	CC(=O)OC(C)(C)/C=C/C(=O)C(C)(C1C(CC2(C1(CC(=O)C3(C2CC=C4C3CC(C(=O)C4(C)C)O)C)C)C)O)O	null	null	null	NULL
+HMDB0008150	PC(18:2(9Z,12Z)/22:0)	HMDB0008150	52922751	NA	C00157	NA	CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)COP(=O)([O-])OCC[N+](C)(C)C	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphocholines	NA
+HMDB0029768	Isofucosterol glucoside	HMDB0029768	NA	NA		NA	C\C=C(/CCC(C)C1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC1OC(CO)C(O)C(O)C1O)C(C)C	Lipids and lipid-like molecules	Steroids and steroid derivatives	Stigmastanes and derivatives	NA
+HMDB0008321	PC(20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	HMDB0008321	52923147	NA	C00157	NA	CCCCCCCC/C=C\CCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphocholines	NA
+HMDB0007057	DG(14:1(9Z)/22:0/0:0)	HMDB0007057	53477992	NA		NA	CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCC/C=C\CCCC	Lipids and lipid-like molecules	Glycerolipids	Diradylglycerols	NA
+HMDB0033334	Antibiotic X 14889D	HMDB0033334	NA	NA		NA	CCC(C1OC(C)(CC1C)C12OC(C)C(CC)(CC1C)O2)C(=O)C(C)C(O)C(C)C1OC(O)(CC)C(C)CC1C	Lipids and lipid-like molecules	Prenol lipids	Terpene glycosides	NA
+C03594	7a-Hydroxycholesterol	HMDB0001496	53477732	17500	C03594	6280	C[C@H](CCCC(C)C)[C@H]1CC[C@H]2[C@@]1(CC[C@H]3C2[C@@H](C=C4[C@@]3(CC[C@@H](C4)O)C)O)C	null	null	null	map00120 Primary bile acid biosynthesis; map01100 Metabolic pathways
+HMDB0007069	DG(15:0/16:0/0:0)	HMDB0007069	14275229	NA		NA	CCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCCCCCCC	Lipids and lipid-like molecules	Glycerolipids	Diradylglycerols	NA
+HMDB0010570	PG(16:0/16:0)	HMDB0010570	446440	NA		NA	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCCCCCCCCCC	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoglycerols	NA
+HMDB0011552	MG(0:0/22:1(13Z)/0:0)	HMDB0011552	6438186	NA		NA	CCCCCCCC/C=C\CCCCCCCCCCCC(=O)OC(CO)CO	Lipids and lipid-like molecules	Glycerolipids	Monoradylglycerols	NA
+C04840	3-beta-Hydroxy-4-beta-methyl-5-alpha-cholest-7-ene-4-alpha-carboxylate	HMDB0011662	53481018	18134	C04840	NA	C[C@H](CCCC(C)C)C1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC[C@@H]4[C@@]3(CC[C@@H]([C@@]4(C)C(=O)O)O)C)C	null	null	null	NULL
+HMDB0007014	DG(14:0/18:1(11Z)/0:0)	HMDB0007014	53477952	NA		NA	CCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCC/C=C\CCCCCC	Lipids and lipid-like molecules	Glycerolipids	Diradylglycerols	NA
+HMDB0008556	PC(22:0/P-18:1(11Z))	HMDB0008556	53479161	NA	C00157	NA	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)O/C=C\CCCCCCCC/C=C\CCCCCC	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphocholines	NA
+HMDB0004879	Trihexosylceramide (d18:1/16:0)	HMDB0004879	20057315	NA	C04737	7136	CCCCCCCCCCCCCCCC(=O)NC(COC1C(C(C(C(O1)CO)OC2C(C(C(C(O2)CO)OC3C(C(C(C(O3)CO)O)O)O)O)O)O)O)C(/C=C/CCCCCCCCCCCCC)O	Lipids and lipid-like molecules	Sphingolipids	Glycosphingolipids	NA
+HMDB0035154	(2Z,6E)-3,7,11,15,19-Pentamethyl-2,6-eicosadien-1-ol	HMDB0035154	57418214	NA		NA	CC(C)CCCC(C)CCCC(C)CCC/C(=C/CC/C(=C/CO)/C)/C	Lipids and lipid-like molecules	Prenol lipids	Sesterterpenoids	NA
+C01176	17-Hydroxyprogesterone	HMDB0000374	6238	17252	C01176	5363	CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)O	Lipids and lipid-like molecules	Steroids and steroid derivatives	Pregnane steroids	map00140 Steroid hormone biosynthesis; map01100 Metabolic pathways; map04913 Ovarian steroidogenesis; map04927 Cortisol synthesis and secretion; map04934 Cushing syndrome
+HMDB0012097	SM(d18:1/14:0)	HMDB0012097	11433862	64486		NA	CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)([O-])OCC[N+](C)(C)C)NC(=O)CCCCCCCCCCCCC)O	Lipids and lipid-like molecules	Sphingolipids	Phosphosphingolipids	NA
+C01753	Beta-Sitosterol	HMDB0000852	222284	27693	C01753	169	CC[C@H](CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)C(C)C	Lipids and lipid-like molecules	Steroids and steroid derivatives	Stigmastanes and derivatives	map00100 Steroid biosynthesis; map01060 Biosynthesis of plant secondary metabolites; map01062 Biosynthesis of terpenoids and steroids; map01110 Biosynthesis of secondary metabolites
+HMDB0007866	PC(14:0/14:0)	HMDB0007866	5459377	45240	C00157	NA	CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphocholines	NA
+HMDB0035480	N-[(4E,8E)-1,3-dihydroxyoctadeca-4,8-dien-2-yl]hexadecanamide	HMDB0035480	NA	NA		NA	CCCCCCCCCCCCCCCC(=O)NC(CO)C(O)\C=C/CC\C=C/CCCCCCCCC	Lipids and lipid-like molecules	Sphingolipids	Ceramides	NA
+HMDB0009116	PE(18:2(9Z,12Z)/P-18:1(11Z))	HMDB0009116	53479671	NA	C00350	NA	CCCCCC/C=C\CCCCCCCC/C=C\O[C@H](COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)COP(=O)(O)OCCN	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines	NA
+C01747	Galactosylsphingosine	HMDB0000648	22833541	16874	C01747	5620	CCCCCCCCCCCCC/C=C/C(C(COC1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)N)O	null	null	null	map00600 Sphingolipid metabolism
+HMDB0012559	13'-Hydroxy-alpha-tocopherol	HMDB0012559	53481465	84962		NA	CC1=C(C(=C2CC[C@@](OC2=C1C)(C)CCC[C@H](C)CCC[C@H](C)CCCC(C)CO)C)O	Lipids and lipid-like molecules	Prenol lipids	Quinone and hydroquinone lipids	NA
+HMDB0011491	LysoPE(0:0/22:1(13Z))	HMDB0011491	53480940	NA		NA	CCCCCCCC/C=C\CCCCCCCCCCCC(=O)O[C@H](CO)COP(=O)(O)OCCN	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines	NA
+HMDB0007868	PC(14:0/15:0)	HMDB0007868	24778611	NA	C00157	NA	CCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphocholines	NA
+HMDB0007071	DG(15:0/18:0/0:0)	HMDB0007071	14275365	NA		NA	CCCCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCCCCCCC	Lipids and lipid-like molecules	Glycerolipids	Diradylglycerols	NA
+HMDB0007874	PC(14:0/18:2(9Z,12Z))	HMDB0007874	24778624	NA	C00157	NA	CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphocholines	NA
+HMDB0007117	DG(16:0/22:2(13Z,16Z)/0:0)	HMDB0007117	9543792	NA		NA	CCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC	Lipids and lipid-like molecules	Glycerolipids	Diradylglycerols	NA
+HMDB0007384	DG(20:0/24:1(15Z)/0:0)	HMDB0007384	53478200	NA		NA	CCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC	Lipids and lipid-like molecules	Glycerolipids	Diradylglycerols	NA
+C05513	beta-D-3-Ribofuranosyluric acid	HMDB0029920	NA	50547	C05513	NA	OCC1OC(C(O)C1O)N1C2=C(N=C(O)N2)C(O)=NC1=O	null	null	null	map00230 Purine metabolism
+HMDB0007861	PA(18:0/18:2(9Z,12Z))	HMDB0007861	24779559	NA	C00416	NA	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphates	NA
+HMDB0004969	Glucosylceramide (d18:1/12:0)	HMDB0004969	20057354	NA	C01190	7222	CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)NC(=O)CCCCCCCCCCC)O	Lipids and lipid-like molecules	Sphingolipids	Glycosphingolipids	NA
+HMDB0013464	SM(d18:0/16:1(9Z))	HMDB0013464	53481781	NA	C00550	NA	CCCCCCCCCCCCCCC[C@H]([C@H](COP(=O)([O-])OCC[N+](C)(C)C)NC(=O)CCCCCCC/C=C\CCCCCC)O	Lipids and lipid-like molecules	Sphingolipids	Phosphosphingolipids	NA
+HMDB0012360	PS(16:0/20:3(8Z,11Z,14Z))	HMDB0012360	52926011	NA		NA	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoserines	NA
+HMDB0010697	Cer(t18:0/16:0)	HMDB0010697	53480650	NA		NA	CCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@@H](C(CCCCCCCCCCCCCC)O)O	Lipids and lipid-like molecules	Sphingolipids	Ceramides	NA
+HMDB0008830	PE(14:0/18:3(6Z,9Z,12Z))	HMDB0008830	52924117	NA	C00350	NA	CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines	NA
+HMDB0009314	PE(20:2(11Z,14Z)/P-18:1(11Z))	HMDB0009314	53479740	NA	C00350	NA	CCCCCC/C=C\CCCCCCCC/C=C\O[C@H](COC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)COP(=O)(O)OCCN	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines	NA
+HMDB0008819	PC(24:1(15Z)/P-18:1(11Z))	HMDB0008819	53479547	NA	C00157	NA	CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)O/C=C\CCCCCCCC/C=C\CCCCCC	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphocholines	NA
+HMDB0010379	LysoPC(14:0)	HMDB0010379	460604	NA	C04230	NA	CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)O	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphocholines	NA
+HMDB0031131	Glycerol 1-(9Z-octadecenoate) 2-tetradecanoate 3-phosphate	HMDB0031131	NA	NA		NA	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C\CCCCCCCC)COP(O)(O)=O	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphates	NA
+HMDB0012333	PS(14:0/16:1(9Z))	HMDB0012333	52926036	NA		NA	CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CCCCCCC/C=C\CCCCCC	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoserines	NA
+HMDB0007869	PC(14:0/16:0)	HMDB0007869	129657	NA	C00157	NA	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphocholines	NA
+HMDB0007881	PC(14:0/20:3(5Z,8Z,11Z))	HMDB0007881	53478605	NA	C00157	NA	CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphocholines	NA
+HMDB0011559	MG(0:0/24:1(15Z)/0:0)	HMDB0011559	53480973	NA		NA	CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)OC(CO)CO	Lipids and lipid-like molecules	Glycerolipids	Monoradylglycerols	NA
+HMDB0008850	PE(14:0/P-16:0)	HMDB0008850	53479559	NA	C00350	NA	CCCCCCCCCCCCCC/C=C\O[C@H](COC(=O)CCCCCCCCCCCCC)COP(=O)(O)OCCN	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines	NA
+HMDB0007121	DG(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)	HMDB0007121	9543827	NA		NA	CCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC	Lipids and lipid-like molecules	Glycerolipids	Diradylglycerols	NA
+HMDB0009144	PE(18:3(6Z,9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	HMDB0009144	52924410	NA	C00350	NA	CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines	NA
+HMDB0009610	PE(22:4(7Z,10Z,13Z,16Z)/P-18:0)	HMDB0009610	53479906	NA	C00350	NA	CCCCCCCCCCCCCCCC/C=C\O[C@H](COC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COP(=O)(O)OCCN	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines	NA
+HMDB0001984	Finasteride	HMDB0001984	57363	5062		NA	C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)NC(C)(C)C)CC[C@@H]4[C@@]3(C=CC(=O)N4)C	Lipids and lipid-like molecules	Steroids and steroid derivatives	Androstane steroids	NA
+HMDB0007099	DG(16:0/16:1(9Z)/0:0)	HMDB0007099	9543678	NA	C00165	4264	CCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC/C=C\CCCCCC	Lipids and lipid-like molecules	Glycerolipids	Diradylglycerols	NA
+HMDB0007112	DG(16:0/20:4(5Z,8Z,11Z,14Z)/0:0)	HMDB0007112	9543736	NA	C00165	NA	CCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC	Lipids and lipid-like molecules	Glycerolipids	Diradylglycerols	NA
+HMDB0007872	PC(14:0/18:1(11Z))	HMDB0007872	24778618	NA	C00157	NA	CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCC/C=C\CCCCCC	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphocholines	NA
+HMDB0012335	PS(14:0/18:1(9Z))	HMDB0012335	52926083	NA		NA	CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CCCCCCC/C=C\CCCCCCCC	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoserines	NA
+HMDB0004866	Lactosylceramide (d18:1/12:0)	HMDB0004866	20057304	NA	C01290	7123	CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO[C@H]1C([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)O)NC(=O)CCCCCCCCCCC)O	Lipids and lipid-like molecules	Sphingolipids	Glycosphingolipids	NA
+HMDB0012336	PS(14:0/18:2(9Z,12Z))	HMDB0012336	52926034	NA		NA	CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoserines	NA
+HMDB0007984	PC(16:0/20:5(5Z,8Z,11Z,14Z,17Z))	HMDB0007984	24778723	NA	C00157	NA	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC	null	null	null	NA
+HMDB0004971	Glucosylceramide (d18:1/16:0)	HMDB0004971	14035030	NA	C01190	7224	CCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)[C@@H](/C=C/CCCCCCCCCCCCC)O	Lipids and lipid-like molecules	Sphingolipids	Glycosphingolipids	NA
+HMDB0014394	Idoxuridine	HMDB0014394	5905	147675		NA	C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)I)CO)O	Nucleosides, nucleotides, and analogues	Pyrimidine nucleosides	Pyrimidine 2'-deoxyribonucleosides	NA
+HMDB0004972	Glucosylceramide (d18:1/18:0)	HMDB0004972	11958364	NA	C01190	7225	CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)[C@@H](/C=C/CCCCCCCCCCCCC)O	Lipids and lipid-like molecules	Sphingolipids	Glycosphingolipids	NA
+HMDB0032798	(R)-1-O-[b-D-Apiofuranosyl-(1->2)-b-D-glucopyranoside]-1,3-octanediol	HMDB0032798	NA	NA		NA	CCCCCC(O)CCOC1OC(CO)C(C)C(O)C1OC1OCC(C)(CO)C1O	Lipids and lipid-like molecules	Fatty Acyls	Fatty alcohols	NA
+HMDB0007889	PC(14:0/22:4(7Z,10Z,13Z,16Z))	HMDB0007889	52922238	NA	C00157	NA	CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphocholines	NA
+HMDB0010382	LysoPC(16:0)	HMDB0010382	460602	NA	C04230	NA	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)O	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphocholines	NA
+HMDB0007119	DG(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/0:0)	HMDB0007119	53478030	NA		NA	CCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC	Lipids and lipid-like molecules	Glycerolipids	Diradylglycerols	NA
+HMDB0010386	LysoPC(18:2(9Z,12Z))	HMDB0010386	11005824	NA	C04230	NA	CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)O	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphocholines	NA
+C06539	Reserpine	HMDB0014351	5770	28487	C06539	NA	CO[C@H]1[C@@H](C[C@@H]2CN3CCC4=C([C@H]3C[C@@H]2[C@@H]1C(=O)OC)NC5=C4C=CC(=C5)OC)OC(=O)C6=CC(=C(C(=C6)OC)OC)OC	Alkaloids and derivatives	Yohimbine alkaloids	null	NULL
+HMDB0012338	PS(14:0/20:3(8Z,11Z,14Z))	HMDB0012338	52925214	NA		NA	CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoserines	NA
+HMDB0007880	PC(14:0/20:2(11Z,14Z))	HMDB0007880	52922228	NA	C00157	NA	CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC	null	null	null	NA
+HMDB0012984	Kinetensin 1-7	HMDB0012984	53481565	NA		NA	CC[C@@H](C)[C@H](C(=O)N[C@@H](C)C(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N2CCC[C@@H]2C(=O)N[C@H](CC3=CC=C(C=C3)O)C(=O)O)N	null	null	null	NA
+HMDB0007110	DG(16:0/20:3(5Z,8Z,11Z)/0:0)	HMDB0007110	53478028	NA		NA	CCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC	Lipids and lipid-like molecules	Glycerolipids	Diradylglycerols	NA
+HMDB0008946	PE(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	HMDB0008946	9546799	NA	C00350	NA	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines	NA
+HMDB0005780	PE(O-16:1(1Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	HMDB0005780	5283497	NA	C00350	6548	CCCCCCCCCCCCCC/C=C\OC[C@H](COP(=O)(O)OCCN)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines	NA
+C16667	DG(14:0/14:0/0:0)	HMDB0007008	10369168	NA	C16667	NA	CCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCCCC	Lipids and lipid-like molecules	Glycerolipids	Diradylglycerols	NULL
+C21480	PE(18:0/20:4(5Z,8Z,11Z,14Z))	HMDB0009003	5289133	NA	C21480	NA	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines	map04216 Ferroptosis
+HMDB0034601	Hebevinoside XI	HMDB0034601	NA	NA		NA	COC1C=C2C(CCC(OC3OCC(O)C(O)C3O)C2(C)C)C2(C)CCC3(C)C(C(C)CCC=C(C)C)C(CC3(C)C12)OC1OC(COC(C)=O)C(OC(C)=O)C(O)C1O	Lipids and lipid-like molecules	Steroids and steroid derivatives	Steroidal glycosides	NA
+HMDB0006972	CDP-DG(16:0/18:2(9Z,12Z))	HMDB0006972	53477916	NA		NA	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@@H](C([C@@H](O1)N2C=CC(=NC2=O)N)O)O)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC	Lipids and lipid-like molecules	Glycerophospholipids	CDP-glycerols	NA
+HMDB0009149	PE(18:3(6Z,9Z,12Z)/P-18:1(11Z))	HMDB0009149	53479683	NA	C00350	NA	CCCCCC/C=C\CCCCCCCC/C=C\O[C@H](COC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC)COP(=O)(O)OCCN	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines	NA
+HMDB0012339	PS(14:0/20:4(5Z,8Z,11Z,14Z))	HMDB0012339	52926030	NA		NA	CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoserines	NA
+HMDB0010367	CE(14:1(9Z))	HMDB0010367	53480456	88758		NA	CCCC/C=C\CCCCCCCC(=O)O[C@H]1CC[C@@]2(C3CC[C@]4(C(C3CC=C2C1)CCC4[C@H](C)CCCC(C)C)C)C	Lipids and lipid-like molecules	Steroids and steroid derivatives	Steroid esters	NA
+C08980	Soyasapogenol B	HMDB0034648	429190	NA	C08980	NA	CC1(CC2C3=CCC4C5(CCC(C(C5CCC4(C3(CCC2(C(C1)O)C)C)C)(C)CO)O)C)C	null	null	null	NULL
+HMDB0008874	PE(14:1(9Z)/22:0)	HMDB0008874	52924152	NA	C00350	NA	CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCC)COP(=O)(O)OCCN	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines	NA
+HMDB0010163	PS(18:0/18:1(9Z))	HMDB0010163	59720717	NA	C02737	NA	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)[O-])[NH3+])OC(=O)CCCCCCC/C=C\CCCCCCCC	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoserines	NA
+HMDB0008979	PE(16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	HMDB0008979	52924914	NA	C00350	NA	CCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines	NA
+HMDB0008194	PC(18:3(6Z,9Z,12Z)/P-18:1(11Z))	HMDB0008194	53478827	NA	C00157	NA	CCCCCC/C=C\CCCCCCCC/C=C\OC(COC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC)COP(=O)([O-])OCC[N+](C)(C)C	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphocholines	NA
+C00381	Dolichol-20	HMDB0005176	6433320	16091	C00381	6407	CC(CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(/C)\CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(/C)\CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)CCO	null	null	null	map00510 N-Glycan biosynthesis; map01062 Biosynthesis of terpenoids and steroids; map01100 Metabolic pathways
+HMDB0012321	Galactosylceramide (d18:1/14:0)	HMDB0012321	53481406	NA	C02686	NA	CCCCCCCCCCCCC/C=C\C(C(CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)NC(=O)CCCCCCCCCCCCC)O	Lipids and lipid-like molecules	Sphingolipids	Glycosphingolipids	NA
+HMDB0012088	SM(d18:0/18:1(11Z))	HMDB0012088	53481360	17636	C00550	NA	CCCCCCCCCCCCCCC[C@H]([C@H](COP(=O)([O-])OCC[N+](C)(C)C)NC(=O)CCCCCCCCC/C=C\CCCCCC)O	Lipids and lipid-like molecules	Sphingolipids	Phosphosphingolipids	NA
+HMDB0007882	PC(14:0/20:3(8Z,11Z,14Z))	HMDB0007882	52922230	NA	C00157	NA	CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphocholines	NA
+HMDB0007010	DG(14:0/15:0/0:0)	HMDB0007010	53477949	NA		NA	CCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCCCCCC	Lipids and lipid-like molecules	Glycerolipids	Diradylglycerols	NA
+HMDB0007012	DG(14:0/16:1(9Z)/0:0)	HMDB0007012	53477950	NA		NA	CCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC/C=C\CCCCCC	Lipids and lipid-like molecules	Glycerolipids	Diradylglycerols	NA
+HMDB0007885	PC(14:0/20:5(5Z,8Z,11Z,14Z,17Z))	HMDB0007885	24778635	NA	C00157	NA	CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphocholines	NA
+HMDB0007066	DG(15:0/14:0/0:0)	HMDB0007066	53478001	NA		NA	CCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCCCC	Lipids and lipid-like molecules	Glycerolipids	Diradylglycerols	NA
+HMDB0007098	DG(16:0/16:0/0:0)	HMDB0007098	644078	237189	C00165	4255	CCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCCCCCC	Lipids and lipid-like molecules	Glycerolipids	Diradylglycerols	NA
+C03990	Lithocholic acid	HMDB0000761	11740284	16325	C03990	209	C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4[C@@]3(CC[C@H](C4)O)C)C	Organic compounds	Lipids and lipid-like molecules	Steroids and steroid derivatives	map00121 Secondary bile acid biosynthesis; map04976 Bile secretion
+C13861	DG(16:0/18:1(9Z)/0:0)	HMDB0007102	5282283	NA	C13861	4260	CCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC/C=C\CCCCCCCC	Lipids and lipid-like molecules	Glycerolipids	Diradylglycerols	NULL
+HMDB0033612	Glabrin C	HMDB0033612	5317650	NA		NA	CC1C(=O)NC(C(=O)NC(C(=O)N2CCCC2C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CC(C)C)C(C)C)CC3=CC=C(C=C3)O)C(C)C)CC(C)C	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	NA
+HMDB0009784	PI(16:0/18:2(9Z,12Z))	HMDB0009784	NA	NA	C00626	NA	[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoinositols	NA
+HMDB0013480	PGP(16:0/20:3(5Z,8Z,11Z))	HMDB0013480	53481800	NA		NA	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@H](COP(=O)(O)O)O)OC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoglycerophosphates	NA
+HMDB0031675	3beta-Acetoxy-11alpha-methoxy-12-ursen-28-oic acid	HMDB0031675	NA	NA		NA	COC1C=C2C3C(C)C(C)CCC3(CCC2(C)C2(C)CCC3C(C)(C)C(CCC3(C)C12)OC(C)=O)C(=O)OC	Lipids and lipid-like molecules	Prenol lipids	Triterpenoids	NA
+HMDB0013504	PGP(18:0/18:0)	HMDB0013504	49859651	NA		NA	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@H](COP(=O)(O)O)O)OC(=O)CCCCCCCCCCCCCCCCC	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoglycerophosphates	NA
+C02477	Alpha-Tocopherol	HMDB0001893	14985	18145	C02477	6376	CC1=C(C(=C2CC[C@@](OC2=C1C)(C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)O	Lipids and lipid-like molecules	Prenol lipids	Quinone and hydroquinone lipids	map00130 Ubiquinone and other terpenoid-quinone biosynthesis; map01060 Biosynthesis of plant secondary metabolites; map01100 Metabolic pathways; map01110 Biosynthesis of secondary metabolites; map04216 Ferroptosis; map04977 Vitamin digestion and absorption
+C00317	Amylopectin	HMDB0003255	439207	28057	C00317	3696	C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)OC[C@@H]3[C@H]([C@@H]([C@H]([C@H](O3)O[C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4O)O)O)CO)O)O)O[C@@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)CO)O)O)O)O	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates	NULL
+C00829	Naphthalene	HMDB0029751	931	16482	C00829	NA	C1=CC=C2C=CC=CC2=C1	Benzenoids	Naphthalenes	null	map00626 Naphthalene degradation; map00980 Metabolism of xenobiotics by cytochrome P450; map01100 Metabolic pathways; map01120 Microbial metabolism in diverse environments; map01220 Degradation of aromatic compounds; map07114 Naphthalene family
+HMDB0007139	DG(16:1(9Z)/20:3(5Z,8Z,11Z)/0:0)	HMDB0007139	53478040	NA		NA	CCCCCCCC/C=C\C/C=C\C/C=C\CCCC(=O)O[C@@H](CO)COC(=O)CCCCCCC/C=C\CCCCCC	Lipids and lipid-like molecules	Glycerolipids	Diradylglycerols	NA
+HMDB0007879	PC(14:0/20:1(11Z))	HMDB0007879	52922226	NA	C00157	NA	CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCC/C=C\CCCCCCCC	null	null	null	NA
+HMDB0030040	Melongoside O	HMDB0030040	NA	NA		NA	CC(CCC1(O)OC2CC3C4CC=C5CC(CCC5(C)C4CCC3(C)C2C1C)OC1OC(CO)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1O)COC1OC(CO)C(O)C(O)C1O	Lipids and lipid-like molecules	Steroids and steroid derivatives	Steroidal glycosides	NA
+HMDB0007038	DG(14:1(9Z)/14:1(9Z)/0:0)	HMDB0007038	53477973	NA		NA	CCCC/C=C\CCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC/C=C\CCCC	Lipids and lipid-like molecules	Glycerolipids	Diradylglycerols	NA
+HMDB0010572	PG(16:0/18:0)	HMDB0010572	449008	NA		NA	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)OC[C@H](CO)O	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoglycerols	NA
+HMDB0008088	PC(18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z))	HMDB0008088	53478751	NA	C00157	NA	CCCCCC/C=C\CCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphocholines	NA
+HMDB0007016	DG(14:0/18:2(9Z,12Z)/0:0)	HMDB0007016	14275352	NA		NA	CCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC	Lipids and lipid-like molecules	Fatty Acyls	Lineolic acids and derivatives	NA
+HMDB0007161	DG(18:0/18:2(9Z,12Z)/0:0)	HMDB0007161	6441562	1215498	C00165	NA	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC	Lipids and lipid-like molecules	Fatty Acyls	Lineolic acids and derivatives	NA
+HMDB0031133	1-O-beta-D-Glucopyranosyl-2,3-di-O-(8-hexadecenoyl)glycerol	HMDB0031133	NA	NA		NA	CCCCCCC\C=C\CCCCCCC(=O)OCC(COC1OC(CO)C(O)C(O)C1O)OC(=O)CCCCCC\C=C\CCCCCCC	Lipids and lipid-like molecules	Glycerolipids	Glycosylglycerols	NA
+HMDB0012404	PS(18:2(9Z,12Z)/20:3(8Z,11Z,14Z))	HMDB0012404	52925469	NA		NA	CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoserines	NA
+HMDB0007988	PC(16:0/22:4(7Z,10Z,13Z,16Z))	HMDB0007988	24778732	NA	C00157	NA	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphocholines	NA
+HMDB0008383	PC(20:3(5Z,8Z,11Z)/22:2(13Z,16Z))	HMDB0008383	53478987	NA	C00157	NA	CCCCCCCC/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphocholines	NA
+HMDB0011554	MG(0:0/22:4(7Z,10Z,13Z,16Z)/0:0)	HMDB0011554	53480969	NA		NA	CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)OC(CO)CO	Lipids and lipid-like molecules	Glycerolipids	Monoradylglycerols	NA
+HMDB0007041	DG(14:1(9Z)/16:1(9Z)/0:0)	HMDB0007041	53477976	NA		NA	CCCCCC/C=C\CCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCC/C=C\CCCC	Lipids and lipid-like molecules	Glycerolipids	Diradylglycerols	NA
+HMDB0029299	Sesamolinol 4'-O-b-D-glucosyl (1->6)-O-b-D-glucoside	HMDB0029299	NA	NA		NA	[H][C@]12CO[C@H](C3=CC=C4OCOC4=C3)[C@@]1([H])CO[C@@H]2OC1=CC=C(O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)C(OC)=C1	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates	NA
+C01789	Campesterol	HMDB0002869	5283637	19809	C01789	167	C[C@H](CC[C@H](C)C(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C	Lipids and lipid-like molecules	Steroids and steroid derivatives	Ergostane steroids	map00100 Steroid biosynthesis; map00905 Brassinosteroid biosynthesis; map01060 Biosynthesis of plant secondary metabolites; map01062 Biosynthesis of terpenoids and steroids; map01070 Biosynthesis of plant hormones; map01100 Metabolic pathways; map01110 Biosynthesis of secondary metabolites
+HMDB0012356	PS(16:0/18:0)	HMDB0012356	52926014	NA		NA	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)OC[C@@H](C(=O)O)N	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoserines	NA
+HMDB0007937	PC(15:0/18:0)	HMDB0007937	11787533	NA	C00157	NA	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphocholines	NA
+HMDB0009644	PE(22:5(4Z,7Z,10Z,13Z,16Z)/P-18:1(11Z))	HMDB0009644	53479940	NA	C00350	NA	CCCCCC/C=C\CCCCCCCC/C=C\O[C@H](COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COP(=O)(O)OCCN	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines	NA
+HMDB0007094	DG(15:0/24:1(15Z)/0:0)	HMDB0007094	53478023	NA		NA	CCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC	Lipids and lipid-like molecules	Glycerolipids	Diradylglycerols	NA
+HMDB0007146	DG(16:1(9Z)/22:2(13Z,16Z)/0:0)	HMDB0007146	9543802	NA		NA	CCCCCC/C=C\CCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC	Lipids and lipid-like molecules	Glycerolipids	Diradylglycerols	NA
+HMDB0008020	PC(16:1(9Z)/22:2(13Z,16Z))	HMDB0008020	52922473	NA	C00157	NA	CCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphocholines	NA
+HMDB0007011	DG(14:0/16:0/0:0)	HMDB0007011	13734178	NA		NA	CCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCCCCCC	Lipids and lipid-like molecules	Glycerolipids	Diradylglycerols	NA
+C06098	Zeaxanthin	HMDB0002789	5280899	27547	C06098	3602	CC1=C(C(C[C@@H](C1)O)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C2=C(C[C@H](CC2(C)C)O)C)\C)\C)/C)/C	Lipids and lipid-like molecules	Prenol lipids	Tetraterpenoids	map00906 Carotenoid biosynthesis; map00999 Biosynthesis of secondary metabolites - unclassified; map01062 Biosynthesis of terpenoids and steroids; map01070 Biosynthesis of plant hormones; map01100 Metabolic pathways; map01110 Biosynthesis of secondary metabolites
+HMDB0007118	DG(16:0/22:4(7Z,10Z,13Z,16Z)/0:0)	HMDB0007118	9543803	NA		NA	CCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC	Lipids and lipid-like molecules	Glycerolipids	Diradylglycerols	NA
+HMDB0009342	PE(20:3(5Z,8Z,11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	HMDB0009342	53479768	NA	C00350	NA	CCCCCCCC/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines	NA
+HMDB0009705	PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	HMDB0009705	9546797	NA	C00350	NA	CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines	NA
+HMDB0007164	DG(18:0/18:4(6Z,9Z,12Z,15Z)/0:0)	HMDB0007164	53478051	NA		NA	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC	Lipids and lipid-like molecules	Fatty Acyls	Lineolic acids and derivatives	NA
+HMDB0007960	PC(15:0/24:1(15Z))	HMDB0007960	53478659	NA	C00157	NA	CCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphocholines	NA
+C04376	5'-Phosphoribosyl-N-formylglycinamide	HMDB0001308	130805	NA	C04376	NA	C([C@@H]1[C@H]([C@H]([C@@H](O1)NC(=O)CNC=O)O)O)OP(=O)(O)O	Nucleosides, nucleotides, and analogues	Glycinamide ribonucleotides	null	map00230 Purine metabolism; map01100 Metabolic pathways; map01110 Biosynthesis of secondary metabolites; map01130 Biosynthesis of antibiotics
+HMDB0011695	SM(d17:1/24:0)	HMDB0011695	52931214	89232		NA	CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP(=O)(O)OCC[N+](C)(C)C)[C@@H](/C=C/CCCCCCCCCCCC)O	Organic nitrogen compounds	Organonitrogen compounds	Quaternary ammonium salts	NA
+HMDB0009050	PE(18:1(11Z)/P-18:1(11Z))	HMDB0009050	53479648	NA	C00350	NA	CCCCCC/C=C\CCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)O/C=C\CCCCCCCC/C=C\CCCCCC	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines	NA
+HMDB0029220	lysoPC(26:1(5Z))	HMDB0029220	NA	NA		NA	CCCCCCCCCCCCCCCCCCCC\C=C\CCCC(=O)OC[C@@H](O)COP([O-])(=O)OCC[N+](C)(C)C	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphocholines	NA
+HMDB0009632	PE(22:5(4Z,7Z,10Z,13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z))	HMDB0009632	53479928	NA	C00350	NA	CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines	NA
+HMDB0008682	PC(22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	HMDB0008682	53479327	NA	C00157	NA	CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphocholines	NA
+HMDB0009611	PE(22:4(7Z,10Z,13Z,16Z)/P-18:1(11Z))	HMDB0009611	53479907	NA	C00350	NA	CCCCCC/C=C\CCCCCCCC/C=C\O[C@H](COC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COP(=O)(O)OCCN	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines	NA
+HMDB0012102	SM(d18:1/20:0)	HMDB0012102	44260124	113818	C00550	NA	CCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP(=O)([O-])OCC[N+](C)(C)C)[C@@H](/C=C/CCCCCCCCCCCCC)O	Lipids and lipid-like molecules	Sphingolipids	Phosphosphingolipids	NA
+C00785	Urocanic acid	HMDB0000301	736715	30817	C00785	298	C1=C(NC=N1)/C=C/C(=O)O	Organoheterocyclic compounds	Azoles	Imidazoles	map00340 Histidine metabolism; map01100 Metabolic pathways
+HMDB0010384	LysoPC(18:0)	HMDB0010384	497299	NA	C04230	NA	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)O	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphocholines	NA
+HMDB0007176	DG(18:0/22:4(7Z,10Z,13Z,16Z)/0:0)	HMDB0007176	9543859	NA		NA	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC	Lipids and lipid-like molecules	Glycerolipids	Diradylglycerols	NA
+HMDB0009045	PE(18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	HMDB0009045	53479643	NA	C00350	NA	CCCCCC/C=C\CCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines	NA
+HMDB0008786	PC(24:0/P-18:1(11Z))	HMDB0008786	53479483	NA	C00157	NA	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)O/C=C\CCCCCCCC/C=C\CCCCCC	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphocholines	NA
+HMDB0008086	PC(18:1(11Z)/22:2(13Z,16Z))	HMDB0008086	53478747	NA	C00157	NA	CCCCCC/C=C\CCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC	null	null	null	NA
+C14641	CE(18:1(9Z))	HMDB0000918	5283632	46898	C14641	5872	CCCCCCCC/C=C\CCCCCCCC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC[C@@H]4[C@H](C)CCCC(C)C)C)C	null	null	null	NULL
+HMDB0007065	DG(14:1(9Z)/24:1(15Z)/0:0)	HMDB0007065	53478000	NA		NA	CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCC/C=C\CCCC	Lipids and lipid-like molecules	Glycerolipids	Diradylglycerols	NA
+HMDB0007887	PC(14:0/22:1(13Z))	HMDB0007887	53478609	NA	C00157	NA	CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC/C=C\CCCCCCCC	null	null	null	NA
+HMDB0007022	DG(14:0/20:2(11Z,14Z)/0:0)	HMDB0007022	53477957	NA		NA	CCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC	Lipids and lipid-like molecules	Glycerolipids	Diradylglycerols	NA
+HMDB0008288	PC(20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	HMDB0008288	24779053	NA	C00157	NA	CCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphocholines	NA
+HMDB0009309	PE(20:2(11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	HMDB0009309	52924602	NA	C00350	NA	CCCCC/C=C\C/C=C\CCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines	NA
+C07517	Methoxyflurane	HMDB0015162	4116	384208	C07517	NA	COC(C(Cl)Cl)(F)F	Organic oxygen compounds	Organooxygen compounds	Ethers	NULL
+C12662	Josamycin	HMDB0015418	5282165	474015	C12662	NA	C[C@@H]1C/C=C/C=C/[C@@H]([C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)OC(=O)C)OC)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)OC(=O)CC(C)C)(C)O)N(C)C)O)CC=O)C)O	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates	NULL
+HMDB0007927	PC(14:1(9Z)/24:1(15Z))	HMDB0007927	53478637	NA	C00157	NA	CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCC)COP(=O)([O-])OCC[N+](C)(C)C	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphocholines	NA
+HMDB0034209	Cyclobrassinone	HMDB0034209	405275	NA		NA	COC1=NC(=O)C2=C(S1)NC3=CC=CC=C32	Organoheterocyclic compounds	Indoles and derivatives	Indoles	NA
+HMDB0007059	DG(14:1(9Z)/22:2(13Z,16Z)/0:0)	HMDB0007059	53477994	NA		NA	CCCCC/C=C\C/C=C\CCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCC/C=C\CCCC	Lipids and lipid-like molecules	Glycerolipids	Diradylglycerols	NA
+HMDB0007959	PC(15:0/24:0)	HMDB0007959	53478657	NA	C00157	NA	CCCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphocholines	NA
+C00580	Dimethylsulfide	HMDB0002303	1068	17437	C00580	6603	CSC	Organosulfur compounds	Thioethers	Dialkylthioethers	map00920 Sulfur metabolism
+C00758	Bergaptol	HMDB0013679	5280371	17377	C00758	NA	C1=CC(=O)OC2=CC3=C(C=CO3)C(=C21)O	Phenylpropanoids and polyketides	Coumarins and derivatives	Furanocoumarins	map01061 Biosynthesis of phenylpropanoids
+C07525	Ketamine	HMDB0015352	3821	6121	C07525	NA	CNC1(CCCCC1=O)C2=CC=CC=C2Cl	Benzenoids	Benzene and substituted derivatives	Halobenzenes	NULL
+HMDB0032812	Isofucosterol 3-O-[6-O-Octadecanoyl-b-D-glucopyranoside]	HMDB0032812	NA	NA		NA	CCCCCCCCCCCCCCCCCC(=O)OCC1OC(OC2CCC3(C)C4CCC5(C)C(CCC5C4CC=C3C2)C(C)CC\C(=C/C)C(C)C)C(O)C(O)C1O	Lipids and lipid-like molecules	Steroids and steroid derivatives	Stigmastanes and derivatives	NA
+HMDB0008062	PC(18:0/P-18:1(11Z))	HMDB0008062	53478707	NA	C00157	NA	CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)O/C=C\CCCCCCCC/C=C\CCCCCC	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphocholines	NA
+HMDB0002044	8-Hydroxyguanosine	HMDB0002044	65131	1177182		NA	C([C@@H]1[C@H]([C@H]([C@@H](O1)N2C3=C(C(=O)N=C(N3)N)NC2=O)O)O)O	Nucleosides, nucleotides, and analogues	Purine nucleosides	null	NA
+HMDB0004974	Glucosylceramide (d18:1/22:0)	HMDB0004974	10373084	62107	C01190	7227	CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)[C@@H](/C=C/CCCCCCCCCCCCC)O	Lipids and lipid-like molecules	Sphingolipids	Glycosphingolipids	NA
+HMDB0004975	Glucosylceramide (d18:1/24:1(15Z))	HMDB0004975	20057357	NA	C01190	7228	CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)NC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC)O	Lipids and lipid-like molecules	Sphingolipids	Glycosphingolipids	NA
+HMDB0007013	DG(14:0/18:0/0:0)	HMDB0007013	53477951	NA		NA	CCCCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCCCCCC	Lipids and lipid-like molecules	Glycerolipids	Diradylglycerols	NA
+C10865	psi-Pelletierine	HMDB0034580	11096	NA	C10865	NA	CN1C2CCCC1CC(=O)C2	Organoheterocyclic compounds	Piperidines	Piperidinones	map00960 Tropane, piperidine and pyridine alkaloid biosynthesis; map01064 Biosynthesis of alkaloids derived from ornithine, lysine and nicotinic acid; map01110 Biosynthesis of secondary metabolites
+HMDB0028959	Lysyl-Proline	HMDB0028959	NA	NA		NA	NCCCCC(N)C(=O)N1CCCC1C(O)=O	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	NA
+C00745	L(-)-Nicotine	HMDB0001934	89594	17688	C00745	1526	CN1CCC[C@H]1C2=CN=CC=C2	Organoheterocyclic compounds	Pyridines and derivatives	Pyrrolidinylpyridines	map00960 Tropane, piperidine and pyridine alkaloid biosynthesis; map00980 Metabolism of xenobiotics by cytochrome P450; map01064 Biosynthesis of alkaloids derived from ornithine, lysine and nicotinic acid; map01100 Metabolic pathways; map01110 Biosynthesis of secondary metabolites; map04714 Thermogenesis; map05033 Nicotine addiction
+C00437	N-Acetylornithine	HMDB0003357	439232	16543	C00437	NA	CC(=O)N[C@@H](CCCN)C(=O)O	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	map00220 Arginine biosynthesis; map01100 Metabolic pathways; map01110 Biosynthesis of secondary metabolites; map01130 Biosynthesis of antibiotics; map01210 2-Oxocarboxylic acid metabolism; map01230 Biosynthesis of amino acids
+C00918	Chloramphenicol	HMDB0014589	5959	17698	C00918	NA	C1=CC(=CC=C1[C@H]([C@@H](CO)NC(=O)C(Cl)Cl)O)[N+](=O)[O-]	Benzenoids	Benzene and substituted derivatives	Nitrobenzenes	NULL
+HMDB0002062	Norepinephrine sulfate	HMDB0002062	123747	NA		NA	C1=CC(=C(C=C1[C@H](CN)O)O)OS(=O)(=O)O	Organic acids and derivatives	Organic sulfuric acids and derivatives	Arylsulfates	NA
+HMDB0028903	Isoleucyl-Aspartate	HMDB0028903	NA	NA		NA	CCC(C)C(N)C(=O)NC(CC(O)=O)C(O)=O	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	NA
+HMDB0011166	L-beta-aspartyl-L-leucine	HMDB0011166	3549397	NA		NA	CC(C)CC(C(=O)O)NC(=O)CC(C(=O)O)N	Organic acids and derivatives	Peptidomimetics	Hybrid peptides	NA
+C02862	Butyrylcarnitine	HMDB0002013	439829	NA	C02862	6436	CCCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C	null	null	null	NULL
+C17241	4-Methylthiobutanaldoxime	METPA1746	NA	NA	C17241	NA	NA	null	null	null	map00966 Glucosinolate biosynthesis; map01110 Biosynthesis of secondary metabolites; map01210 2-Oxocarboxylic acid metabolism
+HMDB0030371	Myrtine	HMDB0030371	433955	NA		NA	CC1CC(=O)CC2N1CCCC2	Organoheterocyclic compounds	Quinolizines	null	NA
+HMDB0028800	Glutaminylisoleucine	HMDB0028800	57315376	NA		NA	CC[C@H](C)[C@@H](C(=O)O)NC(=O)[C@H](CCC(=O)N)N	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	NA
+C01425	Glutamylglutamic acid	HMDB0028818	439500	5390	C01425	NA	C(CC(=O)O)[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)O)N	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	NULL
+C00408	Pipecolic acid	HMDB0000070	849	17964	C00408	50	C1CCNC(C1)C(=O)O	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	map00310 Lysine degradation; map00960 Tropane, piperidine and pyridine alkaloid biosynthesis; map01060 Biosynthesis of plant secondary metabolites; map01064 Biosynthesis of alkaloids derived from ornithine, lysine and nicotinic acid; map01100 Metabolic pathways; map01110 Biosynthesis of secondary metabolites
+C00120	Biotin	HMDB0000030	171548	15956	C00120	243	C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2	Organoheterocyclic compounds	Biotin and derivatives	null	map00780 Biotin metabolism; map01100 Metabolic pathways; map02010 ABC transporters; map04977 Vitamin digestion and absorption
+C00047	L-Lysine	HMDB0000182	5962	18019	C00047	5200	C(CCN)C[C@@H](C(=O)O)N	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	map00300 Lysine biosynthesis; map00310 Lysine degradation; map00780 Biotin metabolism; map00960 Tropane, piperidine and pyridine alkaloid biosynthesis; map00970 Aminoacyl-tRNA biosynthesis; map01060 Biosynthesis of plant secondary metabolites; map01064 Biosynthesis of alkaloids derived from ornithine, lysine and nicotinic acid; map01100 Metabolic pathways; map01110 Biosynthesis of secondary metabolites; map01120 Microbial metabolism in diverse environments; map01130 Biosynthesis of antibiotics; map01210 2-Oxocarboxylic acid metabolism; map01230 Biosynthesis of amino acids; map02010 ABC transporters; map04974 Protein digestion and absorption
+HMDB0028954	Lysyl-Isoleucine	HMDB0028954	NA	NA		NA	CCC(C)C(NC(=O)C(N)CCCCN)C(O)=O	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	NA
+C00637	Indoleacetaldehyde	HMDB0001190	800	18086	C00637	6068	C1=CC=C2C(=C1)C(=CN2)CC=O	Organoheterocyclic compounds	Indoles and derivatives	Indoles	map00380 Tryptophan metabolism; map01100 Metabolic pathways
+HMDB0034750	Isopentyl beta-D-glucoside	HMDB0034750	17978147	NA		NA	CC(C)CCOC1C(C(C(C(O1)CO)O)O)O	Lipids and lipid-like molecules	Fatty Acyls	Fatty acyl glycosides	NA
+C04886	(N-acetylneuraminosyl(a2-6)lactosamine)	HMDB0001081	125128	17725	C04886	5990	CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)OC[C@@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)NC(=O)C)O)CO)O)O)O)O	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates	NULL
+HMDB0006565	Sialyl-Lewis X	HMDB0006565	643990	NA		NA	C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@H]([C@H](C=O)NC(=O)C)[C@@H]([C@@H](CO)O)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O[C@@]3(C[C@@H]([C@H]([C@@H](O3)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)O)O)O)O	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates	NA
+HMDB0035881	11-Hydroxy-9-tridecenoic acid	HMDB0035881	5318367	NA		NA	CCC(/C=C/CCCCCCCC(=O)O)O	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	NA
+HMDB0013021	Neuromedin N (1-4)	HMDB0013021	53481582	NA		NA	CC[C@@H](C)[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)N[C@H]([C@H](C)CC)C(=O)O)N	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	NA
+HMDB0015598	Voglibose	HMDB0015598	444020	590151		NA	C1[C@@H]([C@@H]([C@H]([C@@H]([C@]1(CO)O)O)O)O)NC(CO)CO	Organic oxygen compounds	Organooxygen compounds	Alcohols and polyols	NA
+HMDB0030224	Murrayacinine	HMDB0030224	NA	NA		NA	CC(C)=CCCC1(C)OC2=C(C=O)C=C3C(NC4=CC=CC=C34)=C2C=C1	Organoheterocyclic compounds	Indoles and derivatives	Carbazoles	NA
+C05791	D-Urobilinogen	HMDB0004158	440784	NA	C05791	7021	CCC1=C(C(=O)NC1CC2=C(C(=C(N2)CC3=C(C(=C(N3)CC4C(=C(C(=O)N4)C=C)C)C)CCC(=O)O)CCC(=O)O)C)C	Organoheterocyclic compounds	Tetrapyrroles and derivatives	Bilirubins	map00860 Porphyrin and chlorophyll metabolism; map01100 Metabolic pathways; map01110 Biosynthesis of secondary metabolites
+C01143	(S)-5-Diphosphomevalonic acid	HMDB0001090	439418	15899	C01143	5997	C[C@@](CCOP(=O)(O)OP(=O)(O)O)(CC(=O)O)O	Organic oxygen compounds	Organic oxoanionic compounds	Organic pyrophosphates	map00900 Terpenoid backbone biosynthesis; map01062 Biosynthesis of terpenoids and steroids; map01100 Metabolic pathways; map01110 Biosynthesis of secondary metabolites; map01130 Biosynthesis of antibiotics
+C07497	Malathion	HMDB0014910	4004	6651	C07497	NA	CCOC(=O)CC(C(=O)OCC)SP(=S)(OC)OC	Lipids and lipid-like molecules	Fatty Acyls	Fatty acid esters	NULL
+HMDB0006227	1-a,24R,25-Trihydroxyvitamin D2	HMDB0006227	9547253	NA		NA	C[C@H](/C=C/[C@](C)(C(C)(C)O)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C	Lipids and lipid-like molecules	Steroids and steroid derivatives	Vitamin D and derivatives	NA
+HMDB0002160	Harderoporphyrinogen	HMDB0002160	193825	NA		6518	CC1=C2CC3C(=C(C(=N3)CC4C(=C(C(=N4)CC5=NC(CC(=C1CCC(=O)O)N2)C(=C5C)CCC(=O)O)C)C=C)C)CCC(=O)O	Organoheterocyclic compounds	Tetrapyrroles and derivatives	Porphyrins	NA
+HMDB0030244	Graveolinine	HMDB0030244	11044132	NA		NA	COC1=CC(=NC2=CC=CC=C21)C3=CC4=C(C=C3)OCO4	Organoheterocyclic compounds	Quinolines and derivatives	null	NA
+HMDB0034784	trans-p-Menthane-1,7,8-triol 8-glucoside	HMDB0034784	NA	NA		NA	CC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC(O)(CO)CC1	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates	NA
+HMDB0015499	Almitrine	HMDB0015499	33887	53778		NA	C=CCNC1=NC(=NC(=N1)N2CCN(CC2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F)NCC=C	Benzenoids	Benzene and substituted derivatives	Diphenylmethanes	NA
+C00212	Adenosine	HMDB0000050	60961	16335	C00212	86	C1=NC2=C(C(=N1)N)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O	Nucleosides, nucleotides, and analogues	Purine nucleosides	null	map00230 Purine metabolism; map01100 Metabolic pathways; map04022 cGMP-PKG signaling pathway; map04024 cAMP signaling pathway; map04071 Sphingolipid signaling pathway; map04080 Neuroactive ligand-receptor interaction; map04270 Vascular smooth muscle contraction; map04923 Regulation of lipolysis in adipocytes; map04924 Renin secretion; map05012 Parkinson disease; map05032 Morphine addiction; map05034 Alcoholism
+C01682	Nopaline	METPA0212	NA	NA	C01682	NA	NA	null	null	null	map00330 Arginine and proline metabolism; map02010 ABC transporters
+HMDB0029323	Citpressine I	HMDB0029323	5494827	542817		NA	CN1C2=CC(=CC(=C2C(=O)C3=C1C(=C(C=C3)O)OC)O)OC	Organoheterocyclic compounds	Quinolines and derivatives	Benzoquinolines	NA
+C00294	Inosine	HMDB0000195	6021	17596	C00294	84	C1=NC(=O)C2=C(N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O	Nucleosides, nucleotides, and analogues	Purine nucleosides	null	map00230 Purine metabolism; map01100 Metabolic pathways
+C06947	Dextromethorphan	HMDB0001920	5362449	4470	C06947	NA	CN1CC[C@]23CCCC[C@H]2[C@H]1CC4=C3C=C(C=C4)OC	null	null	null	NULL
+HMDB0035987	Ganoderic acid H	HMDB0035987	NA	NA		NA	CC(CC(=O)CC(C)C(O)=O)C1CC(=O)C2(C)C3=C(C(=O)C(OC(C)=O)C12C)C1(C)CCC(O)C(C)(C)C1CC3=O	Lipids and lipid-like molecules	Prenol lipids	Triterpenoids	NA
+C07056	Isoproterenol	HMDB0015197	3779	64317	C07056	NA	CC(C)NCC(C1=CC(=C(C=C1)O)O)O	Benzenoids	Phenols	Benzenediols	map04261 Adrenergic signaling in cardiomyocytes
+C02717	Moupinamide	HMDB0029365	5280537	17818	C02717	NA	COC1=C(C=CC(=C1)/C=C/C(=O)NCCC2=CC=C(C=C2)O)O	Benzenoids	Phenols	Methoxyphenols	NULL
+C00611	N-Acetyllactosamine	HMDB0001542	439271	16153	C00611	4231	CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates	NULL
+C06820	Amikacin	HMDB0014622	37768	2637	C06820	NA	C1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1NC(=O)[C@H](CCN)O)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)N)O)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CN)O)O)O)N	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates	NULL
+C00062	L-Arginine	HMDB0000517	6322	16467	C00062	5502	C(C[C@@H](C(=O)O)N)CN=C(N)N	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	map00220 Arginine biosynthesis; map00261 Monobactam biosynthesis; map00330 Arginine and proline metabolism; map00331 Clavulanic acid biosynthesis; map00472 D-Arginine and D-ornithine metabolism; map00970 Aminoacyl-tRNA biosynthesis; map00999 Biosynthesis of secondary metabolites - unclassified; map01060 Biosynthesis of plant secondary metabolites; map01064 Biosynthesis of alkaloids derived from ornithine, lysine and nicotinic acid; map01100 Metabolic pathways; map01110 Biosynthesis of secondary metabolites; map01130 Biosynthesis of antibiotics; map01230 Biosynthesis of amino acids; map02010 ABC transporters; map04150 mTOR signaling pathway; map04974 Protein digestion and absorption; map05014 Amyotrophic lateral sclerosis (ALS); map05132 Salmonella infection; map05142 Chagas disease (American trypanosomiasis); map05146 Amoebiasis; map05230 Central carbon metabolism in cancer
+HMDB0029448	DL-Ornithino-L-alanine	HMDB0029448	NA	NA		NA	NC(CCCNCC(N)C(O)=O)C(O)=O	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	NA
+C00376	Retinal	HMDB0001358	638015	17898	C00376	6188	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C=O)/C)/C	Lipids and lipid-like molecules	Prenol lipids	Retinoids	map00830 Retinol metabolism; map01100 Metabolic pathways; map04744 Phototransduction; map04977 Vitamin digestion and absorption
+C07566	Pimozide	HMDB0015232	16362	8212	C07566	NA	C1CN(CCC1N2C3=CC=CC=C3NC2=O)CCCC(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F	Benzenoids	Benzene and substituted derivatives	Diphenylmethanes	NULL
+C12695	Difluprednate	HMDB0015676	443936	775700	C12695	NA	CCCC(=O)O[C@@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2C[C@@H](C4=CC(=O)C=C[C@@]43C)F)F)O)C)C(=O)COC(=O)C	Lipids and lipid-like molecules	Steroids and steroid derivatives	Pregnane steroids	NULL
+HMDB0029742	3-Isopropyl-2-methoxy-5-methylpyrazine	HMDB0029742	15590168	256036		NA	CC1=CN=C(C(=N1)C(C)C)OC	Organoheterocyclic compounds	Diazines	Pyrazines	NA
+C07315	Sulfamethoxazole	HMDB0015150	5329	9332	C07315	NA	CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)N	Benzenoids	Benzene and substituted derivatives	Benzenesulfonamides	NULL
+C15485	2'-Deoxymugineic acid	HMDB0033909	4641377	19274	C15485	NA	C1CN(C1C(=O)O)CCC(C(=O)O)NCCC(C(=O)O)O	null	null	null	NULL
+C00362	2'-Deoxyguanosine 5'-monophosphate	HMDB0001044	65059	16192	C00362	NA	C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2NC(=NC3=O)N)COP(=O)(O)O)O	Nucleosides, nucleotides, and analogues	Purine nucleotides	Purine deoxyribonucleotides	map00230 Purine metabolism; map01100 Metabolic pathways
+C15497	1-(beta-D-Ribofuranosyl)-1,4-dihydronicotinamide 	HMDB0011648	11507134	55458	C15497	NA	C1C=CN(C=C1C(=O)N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates	NULL
+C11168	Tetrabenazine	HMDB0015592	6018	64028	C11168	NA	CC(C)CC1CN2CCC3=CC(=C(C=C3C2CC1=O)OC)OC	Organoheterocyclic compounds	Tetrahydroisoquinolines	null	NULL
+HMDB0032472	Polyethylene, oxidized	HMDB0032472	24847855	NA		NA	CC(C(CCCCC=O)O)C(=O)CCC(=O)O	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	NA
+HMDB0028726	Asparaginyl-Asparagine	HMDB0028726	NA	NA		NA	NC(CC(N)=O)C(=O)NC(CC(N)=O)C(O)=O	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	NA
+HMDB0034346	4-Deoxyphysalolactone	HMDB0034346	NA	NA		NA	CC1=C(C)C(=O)OC(C1)C(C)(O)C1(O)CCC2(O)C3CC(Cl)C4(O)CC=CC(=O)C4(C)C3CCC12C	Lipids and lipid-like molecules	Steroids and steroid derivatives	Steroid lactones	NA
+HMDB0000545	Chenodeoxycholic acid disulfate	HMDB0000545	13990213	NA		5530	C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)OS(=O)(=O)O)C)OS(=O)(=O)O)C	Lipids and lipid-like molecules	Steroids and steroid derivatives	Bile acids, alcohols and derivatives	NA
+HMDB0014401	Lymecycline	HMDB0014401	NA	59040		NA	[H][C@@]12C[C@@]3([H])C(C(=O)C4=C(O)C=CC=C4[C@@]3(C)O)=C(O)[C@]1(O)C(=O)C(C(=O)NCNCCCC[C@H](N)C(O)=O)=C(O)[C@H]2N(C)C	Phenylpropanoids and polyketides	Tetracyclines	null	NA
+C05635	5-Hydroxyindoleacetic acid	HMDB0000763	1826	27823	C05635	2975	C1=CC2=C(C=C1O)C(=CN2)CC(=O)O	Organoheterocyclic compounds	Indoles and derivatives	Indolyl carboxylic acids and derivatives	map00380 Tryptophan metabolism; map01100 Metabolic pathways; map04726 Serotonergic synapse
+C13624	Bisphenol A	HMDB0032133	6623	33216	C13624	NA	CC(C)(C1=CC=C(C=C1)O)C2=CC=C(C=C2)O	Benzenoids	Benzene and substituted derivatives	Diphenylmethanes	map00363 Bisphenol degradation; map01100 Metabolic pathways; map01120 Microbial metabolism in diverse environments
+HMDB0028765	Aspartyl-Tyrosine	HMDB0028765	NA	NA		NA	NC(CC(O)=O)C(=O)NC(CC1=CC=C(O)C=C1)C(O)=O	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	NA
+HMDB0035165	Cinncassiol A 19-glucoside	HMDB0035165	NA	NA		NA	CC(COC1OC(CO)C(O)C(O)C1O)C1=C(C)C2(O)C(O)(C1)C1(C)CC(=O)OC22C(O)C(C)CCC12O	Lipids and lipid-like molecules	Prenol lipids	Terpene glycosides	NA
+C04294	5-(2-Hydroxyethyl)-4-methylthiazole	HMDB0032985	1136	17957	C04294	NA	CC1=C(SC=N1)CCO	Organoheterocyclic compounds	Azoles	Thiazoles	map00730 Thiamine metabolism; map01100 Metabolic pathways
+C02367	3-Oxododecanoic acid	HMDB0010727	439717	18037	C02367	NA	CCCCCCCCCC(=O)CC(=O)O	Organic acids and derivatives	Keto acids and derivatives	Medium-chain keto acids and derivatives	NULL
+C07445	Pindolol	HMDB0015095	4828	8214	C07445	NA	CC(C)NCC(COC1=CC=CC2=C1C=CN2)O	Organoheterocyclic compounds	Indoles and derivatives	Indoles	NULL
+HMDB0029773	6S,9R-Dihydroxy-4,7E-megastigmadien-3-one 9-[apiosyl-(1->6)-glucoside]	HMDB0029773	NA	NA		NA	CC(OC1OC(COC2OCC(O)(CO)C2O)C(O)C(O)C1O)\C=C\C1(O)C(C)=CC(=O)CC1(C)C	Lipids and lipid-like molecules	Fatty Acyls	Fatty acyl glycosides	NA
+HMDB0008898	PE(15:0/18:4(6Z,9Z,12Z,15Z))	HMDB0008898	52924165	NA	C00350	NA	CCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines	NA
+C05570	Ergothioneine	HMDB0003045	5351619	4828	C05570	53	C[N+](C)(C)[C@@H](CC1=CNC(=S)N1)C(=O)[O-]	null	null	null	map00340 Histidine metabolism
+C05926	Neopterin	HMDB0000845	4455	NA	C05926	248	C1=C(N=C2C(=N1)NC(=NC2=O)N)C(C(CO)O)O	null	null	null	map00790 Folate biosynthesis
+HMDB0010316	Acetaminophen glucuronide	HMDB0010316	83944	32636		NA	CC(=O)NC1=CC=C(C=C1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates	NA
+HMDB0032830	(-)-Matairesinol 4'-[apiosyl-(1->2)-glucoside]	HMDB0032830	NA	NA		NA	COC1=C(O)C=CC(CC2C(CC3=CC(OC)=C(OC4OC(CO)C(O)C(O)C4OC4OCC(O)(CO)C4O)C=C3)COC2=O)=C1	Lignans, neolignans and related compounds	Lignan glycosides	null	NA
+HMDB0011174	Isoleucylproline	HMDB0011174	342734	NA		NA	CCC(C)C(C(=O)N1CCCC1C(=O)O)N	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	NA
+HMDB0028717	Arginyl-Proline	HMDB0028717	NA	NA		NA	NC(CCCNC(N)=N)C(=O)N1CCCC1C(O)=O	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	NA
+HMDB0011741	gamma-Glutamyltyrosine	HMDB0011741	94340	82969		NA	C1=CC(=CC=C1C[C@@H](C(=O)O)NC(=O)CC[C@@H](C(=O)O)N)O	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	NA
+C04437	Imidazoleacetic acid ribotide	HMDB0006032	16019958	16805	C04437	NA	C1=C(N=CN1C2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)CC(=O)O	null	null	null	map00340 Histidine metabolism
+C01822	Kanamycin	HMDB0015303	6032	17630	C01822	NA	C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CN)O)O)O)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)N)O)N	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates	map00524 Neomycin, kanamycin and gentamicin biosynthesis; map01130 Biosynthesis of antibiotics
+HMDB0030694	(S)-5,7-Dihydroxy-6,8-dimethylflavanone	HMDB0030694	625031	NA		NA	CC1=C(C2=C(C(=C1O)C)OC(CC2=O)C3=CC=CC=C3)O	Phenylpropanoids and polyketides	Flavonoids	Flavans	NA
+HMDB0034159	Acetyl tributyl citrate	HMDB0034159	6505	NA		NA	CCCCOC(=O)CC(CC(=O)OCCCC)(C(=O)OCCCC)OC(=O)C	Organic acids and derivatives	Carboxylic acids and derivatives	Tricarboxylic acids and derivatives	NA
+C04352	4-Phosphopantothenoylcysteine	HMDB0001117	440304	15769	C04352	NA	CC(C)(COP(=O)(O)O)[C@H](C(=O)NCCC(=O)N[C@@H](CS)C(=O)O)O	Organic acids and derivatives	Peptidomimetics	Hybrid peptides	map00770 Pantothenate and CoA biosynthesis; map01100 Metabolic pathways
+C11131	2-Methoxy-estradiol-17b 3-glucuronide	HMDB0006765	443076	36491	C11131	NA	C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=CC(=C(C=C34)OC)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O	Lipids and lipid-like molecules	Steroids and steroid derivatives	Steroidal glycosides	map00140 Steroid hormone biosynthesis
+HMDB0033580	28-Glucosylarjunolate 3-[rhamnosyl-(1->3)-glucuronide]	HMDB0033580	NA	NA		NA	CC1OC(OC2C(O)C(OC3C(O)CC4(C)C(CCC5(C)C4CC=C4C6CC(C)(C)CCC6(CCC54C)C(=O)OC4OC(CO)C(O)C(O)C4O)C3(C)CO)OC(C2O)C(O)=O)C(O)C(O)C1O	Lipids and lipid-like molecules	Prenol lipids	Terpene glycosides	NA
+C16752	Acevaltrate	HMDB0034494	22245467	NA	C16752	NA	CC(C)CC(=O)OC1C2C(=CC(C23CO3)OC(=O)CC(C)(C)OC(=O)C)C(=CO1)COC(=O)C	null	null	null	NULL
+C03404	Tyrosine methylester	HMDB0029217	70652	17215	C03404	NA	COC(=O)[C@H](CC1=CC=C(C=C1)O)N	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	NULL
+C00345	6-Phosphogluconic acid	HMDB0001316	91493	48928	C00345	367	C([C@H]([C@H]([C@@H]([C@H](C(=O)O)O)O)O)O)OP(=O)(O)O	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates	map00030 Pentose phosphate pathway; map01100 Metabolic pathways; map01110 Biosynthesis of secondary metabolites; map01120 Microbial metabolism in diverse environments; map01130 Biosynthesis of antibiotics; map01200 Carbon metabolism
+HMDB0012983	Kinetensin 1-3	HMDB0012983	53481564	NA		NA	CC[C@H](C)[C@@H](C(=O)N[C@@H](C)C(=O)N[C@H](CCCN=C(N)N)C(=O)O)N	null	null	null	NA
+C03683	De-O-methylsterigmatocystin	HMDB0033657	5486185	18236	C03683	NA	C1=CC2=C(C(=C1)O)C(=O)C3=C(C=C4C(=C3O2)C5C=COC5O4)O	null	null	null	map00254 Aflatoxin biosynthesis; map01130 Biosynthesis of antibiotics
+HMDB0033118	2-Methylthiophene	HMDB0033118	11126	NA		NA	CC1=CC=CS1	Organoheterocyclic compounds	Heteroaromatic compounds	null	NA
+HMDB0032822	5-Sulfo-1,3-benzenedicarboxylic acid	HMDB0032822	80714	NA		NA	C1=C(C=C(C=C1C(=O)O)S(=O)(=O)O)C(=O)O	Benzenoids	Benzene and substituted derivatives	Benzenesulfonic acids and derivatives	NA
+C00828	Vitamin K2	HMDB0030017	5283547	NA	C00828	NA	CC1=C(C(=O)C2=CC=CC=C2C1=O)C/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C	null	null	null	map00130 Ubiquinone and other terpenoid-quinone biosynthesis; map01100 Metabolic pathways; map01110 Biosynthesis of secondary metabolites; map02020 Two-component system; map04977 Vitamin digestion and absorption
+HMDB0033216	(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside	HMDB0033216	NA	NA		NA	CC(C)(O)C(O)CCC(=C)C(CO)OC1OC(CO)C(O)C(O)C1O	Lipids and lipid-like molecules	Fatty Acyls	Fatty acyl glycosides	NA
+C00959	Prostaglandin B1	HMDB0002982	5280388	27624	C00959	408	CCCCC[C@@H](/C=C/C1=C(C(=O)CC1)CCCCCCC(=O)O)O	Lipids and lipid-like molecules	Fatty Acyls	Eicosanoids	NULL
+C00068	Thiamine pyrophosphate	HMDB0001372	1132	9532	C00068	2832	CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCOP(=O)(O)OP(=O)(O)O	Organoheterocyclic compounds	Diazines	Pyrimidines and pyrimidine derivatives	map00010 Glycolysis / Gluconeogenesis; map00020 Citrate cycle (TCA cycle); map00280 Valine, leucine and isoleucine degradation; map00620 Pyruvate metabolism; map00640 Propanoate metabolism; map00730 Thiamine metabolism; map01100 Metabolic pathways; map04977 Vitamin digestion and absorption
+HMDB0029766	(3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside]	HMDB0029766	NA	NA		NA	CC(OC1OC(COC2OCC(O)(CO)C2O)C(O)C(O)C1O)\C=C\C1C(C)=CC(O)CC1(C)C	Lipids and lipid-like molecules	Fatty Acyls	Fatty acyl glycosides	NA
+C00106	Uracil	HMDB0000300	1174	17568	C00106	258	C1=CNC(=O)NC1=O	Organoheterocyclic compounds	Diazines	Pyrimidines and pyrimidine derivatives	map00240 Pyrimidine metabolism; map00410 beta-Alanine metabolism; map00770 Pantothenate and CoA biosynthesis; map01100 Metabolic pathways
+HMDB0028896	Histidinyl-Tryptophan	HMDB0028896	NA	NA		NA	NC(CC1=CN=CN1)C(=O)NC(CC1=CNC2=CC=CC=C12)C(O)=O	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	NA
+C00082	L-Tyrosine	HMDB0000158	6057	17895	C00082	34	C1=CC(=CC=C1C[C@@H](C(=O)O)N)O	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	map00130 Ubiquinone and other terpenoid-quinone biosynthesis; map00231 Puromycin biosynthesis; map00261 Monobactam biosynthesis; map00350 Tyrosine metabolism; map00360 Phenylalanine metabolism; map00400 Phenylalanine, tyrosine and tryptophan biosynthesis; map00401 Novobiocin biosynthesis; map00460 Cyanoamino acid metabolism; map00680 Methane metabolism; map00730 Thiamine metabolism; map00940 Phenylpropanoid biosynthesis; map00950 Isoquinoline alkaloid biosynthesis; map00965 Betalain biosynthesis; map00966 Glucosinolate biosynthesis; map00970 Aminoacyl-tRNA biosynthesis; map01055 Biosynthesis of vancomycin group antibiotics; map01059 Biosynthesis of enediyne antibiotics; map01060 Biosynthesis of plant secondary metabolites; map01063 Biosynthesis of alkaloids derived from shikimate pathway; map01100 Metabolic pathways; map01110 Biosynthesis of secondary metabolites; map01130 Biosynthesis of antibiotics; map01210 2-Oxocarboxylic acid metabolism; map01230 Biosynthesis of amino acids; map04728 Dopaminergic synapse; map04916 Melanogenesis; map04917 Prolactin signaling pathway; map04974 Protein digestion and absorption; map05012 Parkinson disease; map05030 Cocaine addiction; map05031 Amphetamine addiction; map05034 Alcoholism; map05230 Central carbon metabolism in cancer
+HMDB0033578	Aquifoliunine EIII	HMDB0033578	NA	NA		NA	CC1C(C)C(=O)OC2C(OC(C)=O)C(OC(C)=O)C3(COC(C)=O)C(OC(C)=O)C(O)C4C(OC(C)=O)C3(OC4(C)COC(=O)C3=C1N=CC=C3)C2(C)O	Alkaloids and derivatives	null	null	NA
+C05853	2-Phenylethanol	HMDB0033944	6054	49000	C05853	NA	C1=CC=C(C=C1)CCO	Benzenoids	Benzene and substituted derivatives	null	map00360 Phenylalanine metabolism
+C00590	Coniferyl alcohol	HMDB0012915	1549095	17745	C00590	NA	COC1=C(C=CC(=C1)/C=C/CO)O	Benzenoids	Phenols	Methoxyphenols	map00940 Phenylpropanoid biosynthesis; map00999 Biosynthesis of secondary metabolites - unclassified; map01061 Biosynthesis of phenylpropanoids; map01100 Metabolic pathways; map01110 Biosynthesis of secondary metabolites
+C01407	Benzene	HMDB0001505	241	16716	C01407	6285	C1=CC=CC=C1	Benzenoids	Benzene and substituted derivatives	null	map00361 Chlorocyclohexane and chlorobenzene degradation; map00362 Benzoate degradation; map01120 Microbial metabolism in diverse environments; map01220 Degradation of aromatic compounds
+C01455	Toluene	HMDB0034168	1140	17578	C01455	NA	CC1=CC=CC=C1	Benzenoids	Benzene and substituted derivatives	Toluenes	map00623 Toluene degradation; map01100 Metabolic pathways; map01120 Microbial metabolism in diverse environments; map01220 Degradation of aromatic compounds
+HMDB0006695	Prolylhydroxyproline	HMDB0006695	11902892	74767		NA	C1C[C@H]([NH2+]C1)C(=O)N2C[C@@H](C[C@H]2C(=O)[O-])O	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	NA
+HMDB0032959	1-Octen-3-yl glucoside	HMDB0032959	NA	NA		NA	CCCCCC(OC1OC(CO)C(O)C(O)C1O)C=C	Lipids and lipid-like molecules	Fatty Acyls	Fatty acyl glycosides	NA
+C07809	Flavoxate	HMDB0015279	3354	5088	C07809	NA	CC1=C(OC2=C(C1=O)C=CC=C2C(=O)OCCN3CCCCC3)C4=CC=CC=C4	Phenylpropanoids and polyketides	Flavonoids	Flavones	NULL
+HMDB0015238	Levocabastine	HMDB0015238	54385	654467		NA	C[C@@H]1CN(CC[C@@]1(C2=CC=CC=C2)C(=O)O)C3CCC(CC3)(C#N)C4=CC=C(C=C4)F	Organoheterocyclic compounds	Piperidines	Phenylpiperidines	NA
+HMDB0029855	Cochineal Red A	HMDB0029855	NA	NA		NA	OC1=C(\N=N\C2=CC=C(C3=CC=CC=C23)S(O)(=O)=O)C2=C(C=C(C=C2C=C1)S(O)(=O)=O)S(O)(=O)=O	Benzenoids	Naphthalenes	1,1'-azonaphthalenes	NA
+C00842	dTDP-D-glucose	HMDB0001328	439324	35248	C00842	6163	CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OC3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O	null	null	null	map00521 Streptomycin biosynthesis; map00523 Polyketide sugar unit biosynthesis; map00525 Acarbose and validamycin biosynthesis; map01055 Biosynthesis of vancomycin group antibiotics; map01130 Biosynthesis of antibiotics
+HMDB0007607	DG(22:0/20:5(5Z,8Z,11Z,14Z,17Z)/0:0)	HMDB0007607	53478378	NA		NA	CCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC	Lipids and lipid-like molecules	Glycerolipids	Diradylglycerols	NA
+C11118	2-Pyrrolidinone	HMDB0002039	12025	36592	C11118	6452	C1CC(=O)NC1	null	null	null	NULL
+HMDB0033409	26-Methyl nigranoate	HMDB0033409	NA	NA		NA	COC(=O)C(\C)=C/CCC(C)C1CCC2(C)C3CCC(C(C)=C)C4(CCC(O)=O)CC34CCC12C	Lipids and lipid-like molecules	Prenol lipids	Triterpenoids	NA
+HMDB0031281	erythro-7,9-Tetratriacontanediol	HMDB0031281	NA	NA		NA	CCCCCCCCCCCCCCCCCCCCCCCCCC(O)CC(O)CCCCCC	Lipids and lipid-like molecules	Fatty Acyls	Fatty alcohols	NA
+HMDB0014433	Amcinonide	HMDB0014433	443958	31199		NA	CC(=O)OCC(=O)[C@@]12[C@@H](C[C@@H]3[C@@]1(C[C@@H]([C@]4([C@H]3CCC5=CC(=O)C=C[C@@]54C)F)O)C)OC6(O2)CCCC6	Lipids and lipid-like molecules	Steroids and steroid derivatives	Pregnane steroids	NA
+HMDB0011156	PA(20:4(5Z,8Z,11Z,14Z)e/2:0)	HMDB0011156	53480670	NA		NA	CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCOC[C@H](COP(=O)(O)O)OC(=O)C	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphates	NA
+C00448	Farnesyl pyrophosphate	HMDB0000961	445713	17407	C00448	403	CC(=CCC/C(=C/CC/C(=C/COP(=O)(O)OP(=O)(O)O)/C)/C)C	Lipids and lipid-like molecules	Prenol lipids	Sesquiterpenoids	map00100 Steroid biosynthesis; map00900 Terpenoid backbone biosynthesis; map00906 Carotenoid biosynthesis; map00909 Sesquiterpenoid and triterpenoid biosynthesis; map00981 Insect hormone biosynthesis; map00999 Biosynthesis of secondary metabolites - unclassified; map01060 Biosynthesis of plant secondary metabolites; map01062 Biosynthesis of terpenoids and steroids; map01066 Biosynthesis of alkaloids derived from terpenoid and polyketide; map01070 Biosynthesis of plant hormones; map01100 Metabolic pathways; map01110 Biosynthesis of secondary metabolites; map01130 Biosynthesis of antibiotics
+HMDB0010406	LysoPC(24:1(15Z))	HMDB0010406	53480477	NA	C04230	NA	CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)O	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphocholines	NA
+C00292	Aniline	HMDB0003012	6115	17296	C00292	489	C1=CC=C(C=C1)N	Benzenoids	Benzene and substituted derivatives	Aniline and substituted anilines	map00627 Aminobenzoate degradation; map01120 Microbial metabolism in diverse environments
+C02728	N(6)-Methyllysine	HMDB0002038	164795	17604	C02728	NA	CNCCCC[C@@H](C(=O)O)N	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	NULL
+C06867	Captopril	HMDB0015328	44093	3380	C06867	NA	C[C@H](CS)C(=O)N1CCC[C@H]1C(=O)O	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	NULL
+HMDB0031874	N-gamma-Glutamyl-S-allylcysteine	HMDB0031874	11193907	NA		NA	C=CCSCC(C(=O)O)NC(=O)CCC(C(=O)O)N	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	NA
+C00089	Sucrose	HMDB0000258	5988	17992	C00089	137	C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@]2([C@H]([C@@H]([C@H](O2)CO)O)O)CO)O)O)O)O	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates	map00052 Galactose metabolism; map00500 Starch and sucrose metabolism; map01100 Metabolic pathways; map02010 ABC transporters; map02060 Phosphotransferase system (PTS); map04742 Taste transduction; map04973 Carbohydrate digestion and absorption
+HMDB0001513	Dolichyl diphosphate	HMDB0001513	5462166	15750	C00621	6290	CC/C(=C/CCCC(C)CCOP(=O)(O)OP(=O)(O)O)/C	Organic oxygen compounds	Organic oxoanionic compounds	Organic pyrophosphates	NA
+C06979	Enoxacin	HMDB0014610	3229	157175	C06979	NA	CCN1C=C(C(=O)C2=CC(=C(N=C21)N3CCNCC3)F)C(=O)O	Organoheterocyclic compounds	Diazanaphthalenes	Naphthyridines	NULL
+HMDB0005041	Donepezil	HMDB0005041	3152	53289		NA	COC1=C(C=C2C(=C1)CC(C2=O)CC3CCN(CC3)CC4=CC=CC=C4)OC	Organoheterocyclic compounds	Piperidines	Benzylpiperidines	NA
+C00015	Uridine 5'-diphosphate	HMDB0000295	6031	17659	C00015	NA	C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)O)O)O	Nucleosides, nucleotides, and analogues	Pyrimidine nucleotides	Pyrimidine ribonucleotides	map00240 Pyrimidine metabolism; map00908 Zeatin biosynthesis; map01100 Metabolic pathways; map04080 Neuroactive ligand-receptor interaction
+HMDB0033242	Glycylserylprolylmethionylphenylalanylvalinamide	HMDB0033242	NA	NA		NA	CSCCC(NC(=O)C1CCCN1C(=O)C(CO)NC(=O)CN)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(C(C)C)C(N)=O	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	NA
+HMDB0000726	Isovalerylglutamic acid	HMDB0000726	133383	NA		5694	CC(C)CC(=O)N[C@@H](CCC(=O)O)C(=O)O	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	NA
+C05504	Estriol-16-Glucuronide	HMDB0006766	122281	NA	C05504	NA	C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@H]([C@@H]2O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)CCC5=C3C=CC(=C5)O	Lipids and lipid-like molecules	Steroids and steroid derivatives	Steroidal glycosides	map00140 Steroid hormone biosynthesis
+C05923	2,5-Diaminopyrimidine nucleoside triphosphate 	HMDB0006821	440841	929	C05923	NA	C([C@@H]1[C@H]([C@H]([C@@H](O1)NC2=C(C(=O)N=C(N2)N)N)O)O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates	map00790 Folate biosynthesis; map01100 Metabolic pathways
+HMDB0033553	3-[(3-Methylbutyl)nitrosoamino]-2-butanone	HMDB0033553	51227	NA		NA	CC(C)CCN(C(C)C(=O)C)N=O	Organooxygen compounds	Carbonyl compounds	Ketones	NA
+HMDB0033470	Caffeoylferuloylspermidine	HMDB0033470	NA	NA		NA	COC1=C(O)C=CC(\C=C\C(=O)NCCCCNCCCNC(=O)\C=C\C2=CC(O)=C(O)C=C2)=C1	null	null	null	NA
+C00556	Benzyl alcohol	HMDB0003119	244	17987	C00556	NA	C1=CC=C(C=C1)CO	null	null	null	map00623 Toluene degradation; map01120 Microbial metabolism in diverse environments; map01220 Degradation of aromatic compounds
+C00601	Phenylacetaldehyde	HMDB0006236	998	16424	C00601	NA	C1=CC=C(C=C1)CC=O	Benzenoids	Benzene and substituted derivatives	Phenylacetaldehydes	map00360 Phenylalanine metabolism; map00643 Styrene degradation; map01100 Metabolic pathways; map01120 Microbial metabolism in diverse environments
+C00233	Ketoleucine	HMDB0000695	70	48430	C00233	5663	CC(C)CC(=O)C(=O)O	Organic acids and derivatives	Keto acids and derivatives	Short-chain keto acids and derivatives	map00280 Valine, leucine and isoleucine degradation; map00290 Valine, leucine and isoleucine biosynthesis; map00966 Glucosinolate biosynthesis; map01100 Metabolic pathways; map01110 Biosynthesis of secondary metabolites; map01210 2-Oxocarboxylic acid metabolism; map01230 Biosynthesis of amino acids
+C07406	Propoxyphene	HMDB0014785	25137868	8497	C07406	NA	CCC(=O)OC(CC1=CC=CC=C1)(C2=CC=CC=C2)[C@H](C)CN(C)C	null	null	null	NULL
+C02105	(S)-Reticuline	HMDB0003601	439653	16718	C02105	6967	CN1CCC2=CC(=C(C=C2[C@@H]1CC3=CC(=C(C=C3)OC)O)O)OC	Organoheterocyclic compounds	Isoquinolines and derivatives	Benzylisoquinolines	map00950 Isoquinoline alkaloid biosynthesis; map01063 Biosynthesis of alkaloids derived from shikimate pathway; map01100 Metabolic pathways; map01110 Biosynthesis of secondary metabolites
+HMDB0031758	Allithiamine	HMDB0031758	NA	NA		NA	C\C(N(CC1=C(N)N=C(C)N=C1)C=O)=C(\CCO)SSCC=C	Organoheterocyclic compounds	Diazines	Pyrimidines and pyrimidine derivatives	NA
+HMDB0033494	Tetronasin	HMDB0033494	NA	NA		NA	COC(C)C1CC(C)C(O1)C(C)\C=C/C1CCC(C)C(O1)C(\CO)=C\C1CCCC(C)C1C(C)C(\[O-])=C1/C(=O)COC1=O	Lipids and lipid-like molecules	Prenol lipids	Terpene glycosides	NA
+HMDB0005369	TG(16:0/18:0/18:2(9Z,12Z))	HMDB0005369	9544069	NA	C00422	NA	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCC/C=C\C/C=C\CCCCC	Lipids and lipid-like molecules	Glycerolipids	Triradylcglycerols	NA
+C00146	Phenol	HMDB0000228	996	15882	C00146	128	C1=CC=C(C=C1)O	null	null	null	map00350 Tyrosine metabolism; map00361 Chlorocyclohexane and chlorobenzene degradation; map00362 Benzoate degradation; map00627 Aminobenzoate degradation; map01120 Microbial metabolism in diverse environments; map01220 Degradation of aromatic compounds; map04974 Protein digestion and absorption
+HMDB0029347	Acuminoside	HMDB0029347	NA	NA		NA	CC(C)=CCC\C(C)=C/COC1OC(COC2OCC(O)(CO)C2O)C(O)C(O)C1O	Lipids and lipid-like molecules	Prenol lipids	Terpene glycosides	NA
+HMDB0011489	LysoPE(0:0/20:5(5Z,8Z,11Z,14Z,17Z))	HMDB0011489	53480938	NA		NA	CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[C@H](CO)COP(=O)(O)OCCN	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines	NA
+HMDB0015629	Sitaxentan	HMDB0015629	216235	123417		NA	CC1=CC2=C(C=C1CC(=O)C3=C(C=CS3)S(=O)(=O)NC4=C(C(=NO4)C)Cl)OCO2	Organoheterocyclic compounds	Benzodioxoles	null	NA
+HMDB0034516	3b,18b-3-Methoxy-11-oxo-12-oleanen-30-oic acid	HMDB0034516	629042	NA		NA	CC1(C2CCC3(C(C2(CCC1O)C)C(=O)C=C4C3(CCC5(C4CC(CC5)(C)C(=O)OC)C)C)C)C	Lipids and lipid-like molecules	Prenol lipids	Triterpenoids	NA
+HMDB0033500	Lyciumoside VI	HMDB0033500	NA	NA		NA	CC1OC(OCC2OC(OC\C(C)=C\CC\C(C)=C/CC\C(C)=C\CCC(C)(OC3OC(CO)C(OC4OC(C)C(O)C(O)C4O)C(O)C3O)C=C)C(O)C(O)C2O)C(O)C(O)C1O	Lipids and lipid-like molecules	Prenol lipids	Terpene glycosides	NA
+HMDB0015662	Fosaprepitant	HMDB0015662	219090	64321		NA	C[C@H](C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)O[C@@H]2[C@@H](N(CCO2)CC3=NC(=O)N(N3)P(=O)(O)O)C4=CC=C(C=C4)F	Organoheterocyclic compounds	Oxazinanes	Morpholines	NA
+HMDB0006409	Tyramine-O-sulfate	HMDB0006409	153005	133530		NA	C1=CC(=CC=C1CCN)OS(=O)(=O)O	Organic acids and derivatives	Organic sulfuric acids and derivatives	Arylsulfates	NA
+HMDB0015239	Methyprylon	HMDB0015239	4162	774741		NA	CCC1(C(=O)C(CNC1=O)C)CC	Organoheterocyclic compounds	Piperidines	Piperidinones	NA
+HMDB0013209	Alanyltryptophan	HMDB0013209	53481655	NA	C00806	NA	C[C@@H](C(=O)N[C@@H](CC1=CC2=CC=CC=C2N1)C(=O)O)N	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	NA
+HMDB0015262	Prednicarbate	HMDB0015262	52421	NA		NA	CCC(=O)OCC(=O)C1(CCC2C1(CC(C3C2CCC4=CC(=O)C=CC34C)O)C)OC(=O)OCC	Lipids and lipid-like molecules	Steroids and steroid derivatives	Pregnane steroids	NA
+HMDB0035701	Cucurbitacin I 2-glucoside	HMDB0035701	NA	NA		NA	CC(C)(O)\C=C\C(=O)C(C)(O)C1C(O)CC2(C)C3CC=C4C(C=C(OC5OC(CO)C(O)C(O)C5O)C(=O)C4(C)C)C3(C)C(=O)CC12C	Lipids and lipid-like molecules	Steroids and steroid derivatives	Steroidal glycosides	NA
+C00788	Epinephrine	HMDB0000068	5816	28918	C00788	5127	CNC[C@@H](C1=CC(=C(C=C1)O)O)O	Benzenoids	Phenols	Benzenediols	map00350 Tyrosine metabolism; map01100 Metabolic pathways; map02020 Two-component system; map02024 Quorum sensing; map04024 cAMP signaling pathway; map04080 Neuroactive ligand-receptor interaction; map04261 Adrenergic signaling in cardiomyocytes; map04923 Regulation of lipolysis in adipocytes; map04924 Renin secretion
+HMDB0032788	Kaempferol 3-(2'''-feruloylsophoroside) 7-cellobioside	HMDB0032788	NA	NA		NA	COC1=C(O)C=CC(\C=C\C(=O)OC2C(OC3C(OC4=C(OC5=CC(OC6OC(CO)C(OC7OC(CO)C(O)C(O)C7O)C(O)C6O)=CC(O)=C5C4=O)C4=CC=C(O)C=C4)OC(CO)C(O)C3O)OC(CO)C(O)C2O)=C1	Phenylpropanoids and polyketides	Flavonoids	Flavonoid glycosides	NA
+C00407	L-Isoleucine	HMDB0000172	6306	17191	C00407	5193	CC[C@H](C)[C@@H](C(=O)O)N	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	map00280 Valine, leucine and isoleucine degradation; map00290 Valine, leucine and isoleucine biosynthesis; map00460 Cyanoamino acid metabolism; map00960 Tropane, piperidine and pyridine alkaloid biosynthesis; map00966 Glucosinolate biosynthesis; map00970 Aminoacyl-tRNA biosynthesis; map01060 Biosynthesis of plant secondary metabolites; map01064 Biosynthesis of alkaloids derived from ornithine, lysine and nicotinic acid; map01100 Metabolic pathways; map01110 Biosynthesis of secondary metabolites; map01130 Biosynthesis of antibiotics; map01210 2-Oxocarboxylic acid metabolism; map01230 Biosynthesis of amino acids; map02010 ABC transporters; map04974 Protein digestion and absorption; map04978 Mineral absorption; map05230 Central carbon metabolism in cancer
+HMDB0028695	Alanyl-Proline	HMDB0028695	NA	NA		NA	CC(N)C(=O)N1CCCC1C(O)=O	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	NA
+HMDB0028822	Glutamylisoleucine	HMDB0028822	9813855	NA		NA	CC[C@H](C)[C@@H](C(=O)O)NC(=O)[C@H](CCC(=O)O)N	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	NA
+C01051	Uroporphyrinogen III	HMDB0001086	1179	15437	C01051	79	C1C2=C(C(=C(N2)CC3=C(C(=C(N3)CC4=C(C(=C(N4)CC5=C(C(=C1N5)CCC(=O)O)CC(=O)O)CC(=O)O)CCC(=O)O)CC(=O)O)CCC(=O)O)CC(=O)O)CCC(=O)O	Organoheterocyclic compounds	Tetrapyrroles and derivatives	Porphyrins	map00860 Porphyrin and chlorophyll metabolism; map01100 Metabolic pathways; map01110 Biosynthesis of secondary metabolites; map01120 Microbial metabolism in diverse environments
+HMDB0000024	3-O-Sulfogalactosylceramide (d18:1/24:0)	HMDB0000024	6451121	60361	C06125	5096	CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)OS(=O)(=O)O)O)[C@@H](/C=C/CCCCCCCCCCCCC)O	Lipids and lipid-like molecules	Sphingolipids	Glycosphingolipids	NA
+C05258	(S)-3-Hydroxyhexadecanoyl-CoA	HMDB0003932	440600	27402	C05258	NA	CCCCCCCCCCCCC[C@@H](CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)O)O	null	null	null	map00062 Fatty acid elongation; map00071 Fatty acid degradation; map01100 Metabolic pathways; map01212 Fatty acid metabolism
+C08280	Hypoglycin B	HMDB0029428	108105	NA	C08280	NA	C=C1CC1CC(C(=O)O)NC(=O)CCC(C(=O)O)N	null	null	null	NULL
+HMDB0010621	PG(18:1(11Z)/18:3(6Z,9Z,12Z))	HMDB0010621	53480620	NA		NA	CCCCCC/C=C\CCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@H](CO)O)OC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoglycerols	NA
+HMDB0005380	TG(16:0/16:1(9Z)/20:4(5Z,8Z,11Z,14Z))	HMDB0005380	9544150	NA	C00422	NA	CCCCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)OC(=O)CCCCCCC/C=C\CCCCCC	Lipids and lipid-like molecules	Glycerolipids	Triradylcglycerols	NA
+C06387	4-Chlorobenzoyl-CoA	METPA0811	NA	NA	C06387	NA	NA	null	null	null	map00364 Fluorobenzoate degradation; map01100 Metabolic pathways; map01120 Microbial metabolism in diverse environments
+C01516	Morphine	HMDB0014440	5288826	17303	C01516	NA	CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)O)O[C@H]3[C@H](C=C4)O	Alkaloids and derivatives	Morphinans	null	map00950 Isoquinoline alkaloid biosynthesis; map00982 Drug metabolism - cytochrome P450; map01063 Biosynthesis of alkaloids derived from shikimate pathway; map01100 Metabolic pathways; map01110 Biosynthesis of secondary metabolites; map04080 Neuroactive ligand-receptor interaction
+C07346	Oxandrolone	HMDB0014759	5878	7820	C07346	NA	C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C)O)CC[C@@H]4[C@@]3(COC(=O)C4)C	Lipids and lipid-like molecules	Steroids and steroid derivatives	Steroid lactones	NULL
+HMDB0012337	PS(14:0/18:3(9Z,12Z,15Z))	HMDB0012337	52926033	NA		NA	CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoserines	NA
+HMDB0005376	TG(16:0/16:1(9Z)/16:1(9Z))	HMDB0005376	9543987	NA	C00422	4717	CCCCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCC/C=C\CCCCCC)OC(=O)CCCCCCC/C=C\CCCCCC	Lipids and lipid-like molecules	Glycerolipids	Triradylcglycerols	NA
+HMDB0005362	TG(16:0/16:0/18:2(9Z,12Z))	HMDB0005362	25240356	NA	C00422	4743	CCCCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)OC(=O)CCCCCCCCCCCCCCC	Lipids and lipid-like molecules	Glycerolipids	Triradylcglycerols	NA
+HMDB0013473	PGP(16:0/16:1(9Z))	HMDB0013473	53481795	NA		NA	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@H](COP(=O)(O)O)O)OC(=O)CCCCCCC/C=C\CCCCCC	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoglycerophosphates	NA
+HMDB0031027	Tuberoside B (Ullucus tuberosus)	HMDB0031027	NA	NA		NA	CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(OC7OC(CO)C(O)C(O)C7O)C(O)C6OC6OCC(O)C(O)C6O)C(O)=O)C(C)(C)C5CCC34C)C2C1)C(=O)OC1OC(CO)C(O)C(O)C1O	Lipids and lipid-like molecules	Prenol lipids	Terpene glycosides	NA
+C00526	Deoxyuridine	HMDB0000012	13712	16450	C00526	5086	C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO)O	Nucleosides, nucleotides, and analogues	Pyrimidine nucleosides	Pyrimidine 2'-deoxyribonucleosides	map00240 Pyrimidine metabolism
+HMDB0034242	alpha-Hydrojuglone 4-O-b-D-glucoside	HMDB0034242	NA	NA		NA	OCC1OC(OC2=C3C(O)=CC=CC3=C(O)C=C2)C(O)C(O)C1O	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates	NA
+HMDB0010704	CerP(d18:1/24:0)	HMDB0010704	5283587	73137		NA	CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP(=O)(O)O)[C@@H](/C=C/CCCCCCCCCCCCC)O	Lipids and lipid-like molecules	Sphingolipids	Phosphosphingolipids	NA
+HMDB0007790	DG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/24:1(15Z)/0:0)	HMDB0007790	53478540	NA		NA	CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC	Lipids and lipid-like molecules	Glycerolipids	Diradylglycerols	NA
+C05307	Chlorophyll b	HMDB0031146	NA	NA	C05307	NA	[Mg++].[H]\C(COC(=O)CCC1C(C)C2=N\C1=C1/C(C(=O)OC)C(=O)C3=C(C)C(=CC4=C(CC)C(=CO)C(C=C5[N-]C(=C2)C(C)=C5C=C)=N4)N=C13)=C(\C)CCCC(C)CCCC(C)CCCC(C)C	null	null	null	map00860 Porphyrin and chlorophyll metabolism; map01100 Metabolic pathways; map01110 Biosynthesis of secondary metabolites
+C07663	Moxifloxacin	HMDB0014363	152946	63611	C07663	NA	COC1=C2C(=CC(=C1N3C[C@@H]4CCCN[C@@H]4C3)F)C(=O)C(=CN2C5CC5)C(=O)O	null	null	null	map02010 ABC transporters
+HMDB0010330	Cholesterol glucuronide	HMDB0010330	53480449	NA	C03033	NA	C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CCC(C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)C)C	Lipids and lipid-like molecules	Steroids and steroid derivatives	Steroidal glycosides	NA
+C12450	Pseudoecgonyl-CoA	HMDB0006403	443846	NA	C12450	NA	CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O)[C@@H]4[C@H](CC5CCC4N5C)O)O	null	null	null	map00960 Tropane, piperidine and pyridine alkaloid biosynthesis
+C10172	Proline betaine	HMDB0004827	115244	35280	C10172	7089	C[N+]1(CCC[C@H]1C(=O)[O-])C	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	NULL
+C01575	Ephedrine	HMDB0015451	9294	15407	C01575	NA	C[C@@H]([C@@H](C1=CC=CC=C1)O)NC	Benzenoids	Benzene and substituted derivatives	Phenylpropanes	map00360 Phenylalanine metabolism; map01063 Biosynthesis of alkaloids derived from shikimate pathway; map01100 Metabolic pathways
+C00473	Vitamin A	HMDB0000305	445354	17336	C00473	NA	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/CO)/C)/C	null	null	null	map00830 Retinol metabolism; map01100 Metabolic pathways; map04977 Vitamin digestion and absorption
+HMDB0012342	PS(14:1(9Z)/14:1(9Z))	HMDB0012342	52926026	NA		NA	CCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CCCCCCC/C=C\CCCC	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoserines	NA
+HMDB0034699	Fumonisin A2	HMDB0034699	14077782	NA		NA	CCCCC(C)C(C(CC(C)CCCCCCC(CC(C(C)NC(=O)C)O)O)OC(=O)CC(CC(=O)O)C(=O)O)OC(=O)CC(CC(=O)O)C(=O)O	Organic acids and derivatives	Carboxylic acids and derivatives	Fumonisins	NA
+HMDB0005400	TG(18:0/20:0/20:1(11Z))	HMDB0005400	9544617	NA	C00422	NA	CCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCC/C=C\CCCCCCCC	Lipids and lipid-like molecules	Glycerolipids	Triradylcglycerols	NA
+C05337	Chenodeoxycholoyl-CoA	HMDB0006292	11966205	28701	C05337	NA	C[C@H](CCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)O)[C@H]4CC[C@@H]5[C@@]4(CC[C@H]6[C@H]5[C@@H](C[C@H]7[C@@]6(CC[C@H](C7)O)C)O)C	null	null	null	map00120 Primary bile acid biosynthesis; map00121 Secondary bile acid biosynthesis; map01100 Metabolic pathways
+HMDB0001454	Guanosine tetraphosphate adenosine	HMDB0001454	10771862	52968		NA	C1=NC2=C(C(=N1)N)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=NC6=C5NC(=NC6=O)N)O)O)O)O	Nucleosides, nucleotides, and analogues	(5'->5')-dinucleotides	null	NA
+HMDB0009773	PE(24:1(15Z)/24:1(15Z))	HMDB0009773	53480045	NA	C00350	NA	CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines	NA
+HMDB0006589	Sialyllacto-N-tetraose a	HMDB0006589	53477859	89919		NA	CC(=O)N[C@@H]1[C@H](C[C@@](OC1[C@@H]([C@@H](CO)O)O)(C(=O)O)O[C@H]2[C@H]([C@H](O[C@H]([C@@H]2O)OC3[C@H]([C@@H](O[C@@H]([C@H]3O)CO)OC4[C@H]([C@H](O[C@H]([C@@H]4O)O[C@H]([C@@H](CO)O)[C@@H]([C@H](C=O)O)O)CO)O)NC(=O)C)CO)O)O	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates	NA
+HMDB0014941	Colistin	HMDB0014941	5311054	NA	C13768	NA	CCC(C)CCCC(=O)N[C@@H](CCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCN)C(=O)N[C@H]1CCNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC1=O)CCN)CC(C)C)CC(C)C)CCN)CCN)[C@@H](C)O	Organic Polymers	Polypeptides	null	NA
+HMDB0004881	Trihexosylceramide (d18:1/20:0)	HMDB0004881	20057316	NA	C04737	7138	CCCCCCCCCCCCCCCCCCCC(=O)NC(COC1C(C(C(C(O1)CO)OC2C(C(C(C(O2)CO)OC3C(C(C(C(O3)CO)O)O)O)O)O)O)O)C(/C=C/CCCCCCCCCCCCC)O	Lipids and lipid-like molecules	Sphingolipids	Glycosphingolipids	NA
+C00463	Indole	HMDB0000738	798	16881	C00463	286	C1=CC=C2C(=C1)C=CN2	Organoheterocyclic compounds	Indoles and derivatives	Indoles	map00380 Tryptophan metabolism; map00400 Phenylalanine, tyrosine and tryptophan biosynthesis; map00402 Benzoxazinoid biosynthesis; map01100 Metabolic pathways; map01110 Biosynthesis of secondary metabolites; map04974 Protein digestion and absorption
+C00955	Tryptophanol	HMDB0003447	10685	17890	C00955	6932	C1=CC=C2C(=C1)C(=CN2)CCO	Organoheterocyclic compounds	Indoles and derivatives	Indoles	map00380 Tryptophan metabolism
+HMDB0033926	(3xi,6xi)-Cyclo(alanylvalyl)	HMDB0033926	139895	NA		NA	CC1C(=O)NC(C(=O)N1)C(C)C	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	NA
+C04079	D-Pantothenoyl-L-cysteine	HMDB0006834	440217	18416	C04079	NA	CC(C)(CO)[C@H](C(=O)NCCC(=O)N[C@@H](CS)C(=O)O)O	Organic acids and derivatives	Peptidomimetics	Hybrid peptides	map00770 Pantothenate and CoA biosynthesis
+HMDB0033907	Homodolicholide	HMDB0033907	NA	NA		NA	C\C=C(/C(C)C)C(O)C(O)C(C)C1CCC2C3COC(=O)C4CC(O)C(O)CC4(C)C3CCC12C	Lipids and lipid-like molecules	Steroids and steroid derivatives	Steroid lactones	NA
+C00193	Benzaldehyde	HMDB0006115	240	17169	C00193	NA	C1=CC=C(C=C1)C=O	null	null	null	NULL
+C09817	(R)-Benzylsuccinyl-CoA	HMDB0012129	53481379	NA	C09817	NA	CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O)C[C@@H](CC4=CC=CC=C4)C(=O)O)O	null	null	null	map00623 Toluene degradation; map01100 Metabolic pathways; map01120 Microbial metabolism in diverse environments; map01220 Degradation of aromatic compounds
+HMDB0013033	Oxytocin 1-8	HMDB0013033	53481590	NA		NA	CC[C@@H](C)[C@H]1C(=O)N[C@H](C(=O)NC(C(=O)N[C@H](CSSC(C(=O)N[C@H](C(=O)N1)CC2=CC=C(C=C2)O)N)C(=O)N3CCC[C@@H]3C(=O)N[C@H](CC(C)C)C(=O)O)CC(=O)N)CCC(=O)N	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	NA
+C05843	N1-Methyl-4-pyridone-3-carboxamide	HMDB0004194	440810	27838	C05843	NA	CN1C=CC(=O)C(=C1)C(=O)N	Organoheterocyclic compounds	Pyridines and derivatives	Pyridinecarboxylic acids and derivatives	map00760 Nicotinate and nicotinamide metabolism; map01100 Metabolic pathways
+C04225	cis-2-Methylaconitate	HMDB0006357	3080625	16717	C04225	NA	C/C(=C(\CC(=O)O)/C(=O)O)/C(=O)O	Organic acids and derivatives	Carboxylic acids and derivatives	Tricarboxylic acids and derivatives	map00640 Propanoate metabolism
+C03406	Argininosuccinic acid	HMDB0000052	16950	15682	C03406	5115	C(C[C@@H](C(=O)O)N)CN=C(N)N[C@@H](CC(=O)O)C(=O)O	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	map00220 Arginine biosynthesis; map00250 Alanine, aspartate and glutamate metabolism; map01100 Metabolic pathways; map01110 Biosynthesis of secondary metabolites; map01130 Biosynthesis of antibiotics; map01230 Biosynthesis of amino acids
+C06913	Clemastine	HMDB0014428	26987	3738	C06913	NA	C[C@@](C1=CC=CC=C1)(C2=CC=C(C=C2)Cl)OCC[C@H]3CCCN3C	Benzenoids	Benzene and substituted derivatives	Diphenylmethanes	NULL
+C05259	3-Oxohexadecanoyl-CoA	HMDB0006402	440601	15491	C05259	NA	CCCCCCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)O	null	null	null	map00062 Fatty acid elongation; map00071 Fatty acid degradation; map01100 Metabolic pathways; map01212 Fatty acid metabolism
+HMDB0031990	Pitheduloside K	HMDB0031990	NA	NA		NA	CC1(C)CCC2(C(O)CC3(C)C(=CCC4C5(C)CCC(OC6OC(COC7OCC(O)C(O)C7OC7OCC(O)C(O)C7O)C(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC34C)C2C1)C(O)=O	Lipids and lipid-like molecules	Prenol lipids	Terpene glycosides	NA
+HMDB0033599	Vignatic acid A	HMDB0033599	NA	NA		NA	CC(C)CC(O)C(=O)NC1C(OC2=CC=C(CC(NC(=O)C(CC3=CC=CC=C3)NC1=O)C(O)=O)C=C2)C(C)C	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	NA
+C01585	Caproic acid	HMDB0000535	8892	30776	C01585	5520	CCCCCC(=O)O	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	NULL
+HMDB0028825	Glutamylmethionine	HMDB0028825	6426949	73507		NA	CSCC[C@@H](C(=O)O)NC(=O)[C@H](CCC(=O)O)N	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	NA
+C01850	Rosmarinic acid	HMDB0003572	5281792	50371	C01850	6960	C1=CC(=C(C=C1C[C@H](C(=O)O)OC(=O)/C=C/C2=CC(=C(C=C2)O)O)O)O	Phenylpropanoids and polyketides	Cinnamic acids and derivatives	Hydroxycinnamic acids and derivatives	map00350 Tyrosine metabolism
+C00832	Paromomycin	HMDB0015490	165580	7934	C00832	NA	C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)N)O[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O[C@@H]4[C@@H]([C@H]([C@@H]([C@@H](O4)CN)O)O)N)O)O)N	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates	map00524 Neomycin, kanamycin and gentamicin biosynthesis; map01130 Biosynthesis of antibiotics
+HMDB0006978	CDP-DG(18:0/18:0)	HMDB0006978	53477922	NA		NA	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@@H](C([C@@H](O1)N2C=CC(=NC2=O)N)O)O)OC(=O)CCCCCCCCCCCCCCCCC	Lipids and lipid-like molecules	Glycerophospholipids	CDP-glycerols	NA
+C08887	Avenacoside A	HMDB0033815	267363	NA	C08887	NA	CC1C2C(CC3C2(CCC4C3CC=C5C4(CCC(C5)OC6C(C(C(C(O6)CO)OC7C(C(C(C(O7)C)O)O)O)O)OC8C(C(C(C(O8)CO)O)O)O)C)C)OC19CCC(O9)(C)COC1C(C(C(C(O1)CO)O)O)O	null	null	null	NULL
+C00079	L-Phenylalanine	HMDB0000159	6140	17295	C00079	28	C1=CC=C(C=C1)C[C@@H](C(=O)O)N	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	map00360 Phenylalanine metabolism; map00400 Phenylalanine, tyrosine and tryptophan biosynthesis; map00460 Cyanoamino acid metabolism; map00940 Phenylpropanoid biosynthesis; map00960 Tropane, piperidine and pyridine alkaloid biosynthesis; map00966 Glucosinolate biosynthesis; map00970 Aminoacyl-tRNA biosynthesis; map01060 Biosynthesis of plant secondary metabolites; map01061 Biosynthesis of phenylpropanoids; map01063 Biosynthesis of alkaloids derived from shikimate pathway; map01064 Biosynthesis of alkaloids derived from ornithine, lysine and nicotinic acid; map01070 Biosynthesis of plant hormones; map01100 Metabolic pathways; map01110 Biosynthesis of secondary metabolites; map01130 Biosynthesis of antibiotics; map01210 2-Oxocarboxylic acid metabolism; map01230 Biosynthesis of amino acids; map02010 ABC transporters; map04974 Protein digestion and absorption; map04978 Mineral absorption; map05230 Central carbon metabolism in cancer
+C07194	Methyldopa	HMDB0011754	38853	61058	C07194	NA	C[C@](CC1=CC(=C(C=C1)O)O)(C(=O)O)N	Phenylpropanoids and polyketides	Phenylpropanoic acids	null	NULL
+HMDB0000706	Aspartylphenylalanine	HMDB0000706	93078	385866		5674	C1=CC=C(C=C1)C[C@@H](C(=O)O)NC(=O)[C@H](CC(=O)O)N	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	NA
+C11045	Aspartame	HMDB0001894	134601	2877	C11045	6377	COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC(=O)O)N	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	map04742 Taste transduction
+HMDB0011477	LysoPE(0:0/18:2(9Z,12Z))	HMDB0011477	53480926	76090		NA	CCCCC/C=C\C/C=C\CCCCCCCC(=O)O[C@H](CO)COP(=O)(O)OCCN	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines	NA
+HMDB0007894	PC(14:0/24:1(15Z))	HMDB0007894	24778643	NA	C00157	NA	CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC	null	null	null	NA
+C00441	L-Aspartate-semialdehyde	HMDB0012249	439235	18051	C00441	NA	C(C=O)[C@@H](C(=O)O)N	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	map00260 Glycine, serine and threonine metabolism; map00261 Monobactam biosynthesis; map00270 Cysteine and methionine metabolism; map00300 Lysine biosynthesis; map00330 Arginine and proline metabolism; map00400 Phenylalanine, tyrosine and tryptophan biosynthesis; map00999 Biosynthesis of secondary metabolites - unclassified; map01100 Metabolic pathways; map01110 Biosynthesis of secondary metabolites; map01120 Microbial metabolism in diverse environments; map01130 Biosynthesis of antibiotics; map01210 2-Oxocarboxylic acid metabolism; map01230 Biosynthesis of amino acids
+C07172	Trimeprazine	HMDB0015376	5574	157833	C07172	NA	CC(CN1C2=CC=CC=C2SC3=CC=CC=C31)CN(C)C	Organoheterocyclic compounds	Benzothiazines	Phenothiazines	NULL
+HMDB0013043	Prostaglandin PGE2 1-glyceryl ester	HMDB0013043	52193688	NA		NA	CCCCC[C@@H](/C=C/[C@H]1[C@H](CC(=O)[C@@H]1C/C=C\CCCC(=O)OC[C@@H](CO)O)O)O	Lipids and lipid-like molecules	Fatty Acyls	Eicosanoids	NA
+HMDB0011472	LysoPE(0:0/15:0)	HMDB0011472	53480921	NA		NA	CCCCCCCCCCCCCCC(=O)O[C@H](CO)COP(=O)(O)OCCN	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines	NA
+HMDB0031748	Chinenoside I	HMDB0031748	NA	NA		NA	CC(CCC1(O)OC2CC3C4CC(=O)C5CC(CCC5(C)C4CCC3(C)C2C1C)OC1OC(COC2OCC(O)C(O)C2O)C(OC2OCC(O)C(O)C2O)C(O)C1O)COC1OC(CO)C(O)C(O)C1O	Lipids and lipid-like molecules	Steroids and steroid derivatives	Steroidal glycosides	NA
+HMDB0032021	cis-Methylbixin	HMDB0032021	NA	NA		NA	COC(=O)\C=C\C(\C)=C/C=C/C(/C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C(=O)OC	Lipids and lipid-like molecules	Prenol lipids	Diterpenoids	NA
+HMDB0029767	Saringosterol 3-glucoside	HMDB0029767	NA	NA		NA	CC(C)C(O)(CCC(C)C1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC1OC(CO)C(O)C(O)C1O)C=C	Lipids and lipid-like molecules	Steroids and steroid derivatives	Stigmastanes and derivatives	NA
+C16308	Traumatic acid	HMDB0000933	5283028	545687	C16308	5882	C(CCCCC(=O)O)CCC/C=C/C(=O)O	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	map00592 alpha-Linolenic acid metabolism; map01110 Biosynthesis of secondary metabolites
+HMDB0014571	Triprolidine	HMDB0014571	5282443	165539		NA	CC1=CC=C(C=C1)/C(=C\CN2CCCC2)/C3=CC=CC=N3	Benzenoids	Benzene and substituted derivatives	Styrenes	NA
+C07130	Theophylline	HMDB0001889	2153	28177	C07130	1458	CN1C2=C(C(=O)N(C1=O)C)NC=N2	Organoheterocyclic compounds	Imidazopyrimidines	Purines and purine derivatives	map00232 Caffeine metabolism; map01060 Biosynthesis of plant secondary metabolites; map01065 Biosynthesis of alkaloids derived from histidine and purine; map01100 Metabolic pathways; map01110 Biosynthesis of secondary metabolites; map01120 Microbial metabolism in diverse environments
+HMDB0002012	Ubiquinone-1	HMDB0002012	4462	16389	C00399	6435	CC1=C(C(=O)C(=C(C1=O)OC)OC)CC=C(C)C	Lipids and lipid-like molecules	Prenol lipids	Quinone and hydroquinone lipids	NA
+HMDB0007029	DG(14:0/22:1(13Z)/0:0)	HMDB0007029	53477964	NA		NA	CCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCC/C=C\CCCCCCCC	Lipids and lipid-like molecules	Glycerolipids	Diradylglycerols	NA
+HMDB0034552	Medicagenic acid 3-O-beta-D-glucoside	HMDB0034552	NA	NA		NA	CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CC(O)C(OC6OC(CO)C(O)C(O)C6O)C(C)(C5CCC34C)C(O)=O)C2C1)C(O)=O	Lipids and lipid-like molecules	Prenol lipids	Terpene glycosides	NA
+HMDB0008156	PC(18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	HMDB0008156	24778983	NA	C00157	NA	CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphocholines	NA
+C00234	10-Formyltetrahydrofolate	HMDB0000972	122347	15637	C00234	5912	C1C(NC2=C(N1)NC(=NC2=O)N)CN(C=O)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	null	null	null	map00670 One carbon pool by folate; map00720 Carbon fixation pathways in prokaryotes; map00970 Aminoacyl-tRNA biosynthesis; map01100 Metabolic pathways; map01120 Microbial metabolism in diverse environments; map01200 Carbon metabolism; map01523 Antifolate resistance
+C07829	Methylphenobarbital	HMDB0014987	8271	6758	C07829	NA	CCC1(C(=O)NC(=O)N(C1=O)C)C2=CC=CC=C2	Organoheterocyclic compounds	Diazines	Pyrimidines and pyrimidine derivatives	NULL
+HMDB0010361	(23S)-23,25-dihdroxy-24-oxovitamine D3 23-(beta-glucuronide)	HMDB0010361	9547634	NA		NA	C[C@H](C[C@@H](C(=O)C(C)(C)O)OC1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)O)[C@H]2CC[C@@H]\3[C@@]2(CCC/C3=C\C=C/4\C[C@H](CCC4=C)O)C	Lipids and lipid-like molecules	Steroids and steroid derivatives	Vitamin D and derivatives	NA
+C11435	4-(Cytidine 5'-diphospho)-2-C-methyl-D-erythritol	METPA1028	NA	NA	C11435	NA	NA	null	null	null	map00900 Terpenoid backbone biosynthesis; map01100 Metabolic pathways; map01110 Biosynthesis of secondary metabolites; map01130 Biosynthesis of antibiotics
+C07078	Lomefloxacin	HMDB0015113	3948	116278	C07078	NA	CCN1C=C(C(=O)C2=CC(=C(C(=C21)F)N3CCNC(C3)C)F)C(=O)O	Organoheterocyclic compounds	Quinolines and derivatives	Quinoline carboxylic acids	NULL
+C11133	Estrone glucuronide	HMDB0004483	115255	28919	C11133	7063	C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=C3C=CC(=C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O	Lipids and lipid-like molecules	Steroids and steroid derivatives	Steroidal glycosides	map00140 Steroid hormone biosynthesis
+C03582	Resveratrol	HMDB0003747	445154	36000	C03582	NA	C1=CC(=CC=C1/C=C/C2=CC(=CC(=C2)O)O)O	Phenylpropanoids and polyketides	Stilbenes	null	map00945 Stilbenoid, diarylheptanoid and gingerol biosynthesis; map01061 Biosynthesis of phenylpropanoids; map01110 Biosynthesis of secondary metabolites; map04211 Longevity regulating pathway; map04212 Longevity regulating pathway - worm
+HMDB0028736	Asparaginyl-Lysine	HMDB0028736	NA	NA		NA	NCCCCC(NC(=O)C(N)CC(N)=O)C(O)=O	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	NA
+C06171	Codeinone	METPA0776	NA	NA	C06171	NA	NA	null	null	null	map00950 Isoquinoline alkaloid biosynthesis; map01063 Biosynthesis of alkaloids derived from shikimate pathway; map01100 Metabolic pathways; map01110 Biosynthesis of secondary metabolites
+HMDB0010331	Palmitoyl glucuronide	HMDB0010331	161223	NA	C03033	NA	CCCCCCCCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)O	Lipids and lipid-like molecules	Fatty Acyls	Fatty acyl glycosides	NA
+HMDB0012986	Kinetensin 4-7	HMDB0012986	53481567	NA		NA	C1C[C@@H](N(C1)C(=O)[C@H](CC2=CN=CN2)NC(=O)[C@@H](CCCN=C(N)N)N)C(=O)N[C@H](CC3=CC=C(C=C3)O)C(=O)O	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	NA
+C00913	3-Methyladenine	HMDB0011600	1673	38635	C00913	NA	CN1C=NC(=C2C1=NC=N2)N	Organoheterocyclic compounds	Imidazopyrimidines	Purines and purine derivatives	NULL
+C01620	Threonic acid	HMDB0000943	151152	49059	C01620	5891	C([C@H]([C@@H](C(=O)O)O)O)O	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates	map00053 Ascorbate and aldarate metabolism
+C02631	Isopropylmaleate	HMDB0012241	5280533	17275	C02631	NA	CC(C)/C(=C/C(=O)O)/C(=O)O	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	map00290 Valine, leucine and isoleucine biosynthesis; map01110 Biosynthesis of secondary metabolites; map01210 2-Oxocarboxylic acid metabolism
+C07356	Oxaprozin	HMDB0015126	4614	239225	C07356	NA	C1=CC=C(C=C1)C2=C(OC(=N2)CCC(=O)O)C3=CC=CC=C3	Organoheterocyclic compounds	Azoles	Oxazoles	NULL
+HMDB0013938	Promazine 5-sulfoxide	HMDB0013938	547559	NA		NA	CN(C)CCCN1C2=CC=CC=C2S(=O)C3=CC=CC=C31	Organoheterocyclic compounds	Benzothiazines	Phenothiazines	NA
+HMDB0029429	Malformin	HMDB0029429	4005	NA		NA	CCC(C)C1C(=O)NC2CSSCC(C(=O)NC(C(=O)NC(C(=O)N1)CC(C)C)C(C)C)NC2=O	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	NA
+C10497	Subaphylline	HMDB0033463	NA	NA	C10497	NA	COC1=C(O)C=CC(\C=C/C(=O)NCCCCN)=C1	Phenylpropanoids and polyketides	Cinnamic acids and derivatives	Hydroxycinnamic acids and derivatives	map00330 Arginine and proline metabolism
+C05463	Taurodeoxycholic acid	HMDB0000896	2733768	9410	C05463	5853	C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C	null	null	null	NULL
+HMDB0029513	Myricatin	HMDB0029513	NA	NA		NA	OC1=CC(O)=C2C(=O)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(OC2=C1)C1=CC(O)=C(O)C(OS(O)(=O)=O)=C1	Phenylpropanoids and polyketides	Flavonoids	Flavans	NA
+HMDB0012331	PS(14:0/14:1(9Z))	HMDB0012331	52925204	NA		NA	CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CCCCCCC/C=C\CCCC	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoserines	NA
+HMDB0031105	Trierucin	HMDB0031105	NA	NA		NA	CCCCCCCC\C=C\CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C\CCCCCCCC	Lipids and lipid-like molecules	Glycerolipids	Triradylcglycerols	NA
+HMDB0030113	Kuwanon Q	HMDB0030113	NA	NA		NA	CC(C)=CCC1=C(O)C=CC(C(=O)C2C(CC(C)=CC2C2=C(O)C=CC(C(=O)\C=C\C3=C(O)C=C(O)C=C3)=C2O)C2=CC=C(O)C=C2)=C1O	Phenylpropanoids and polyketides	Diarylheptanoids	Linear diarylheptanoids	NA
+C16547	Endoxifen	HMDB0060666	NA	1	C16547	NA	CC\C(=C(/C1=CC=C(O)C=C1)C1=CC=C(OCCNC)C=C1)C1=CC=CC=C1	Phenylpropanoids and polyketides	Stilbenes	null	map00982 Drug metabolism - cytochrome P450; map01522 Endocrine resistance
+C00025	L-Glutamic acid	HMDB0000148	33032	16015	C00025	5174	C(CC(=O)O)[C@@H](C(=O)O)N	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	map00220 Arginine biosynthesis; map00250 Alanine, aspartate and glutamate metabolism; map00330 Arginine and proline metabolism; map00332 Carbapenem biosynthesis; map00340 Histidine metabolism; map00430 Taurine and hypotaurine metabolism; map00471 D-Glutamine and D-glutamate metabolism; map00480 Glutathione metabolism; map00524 Neomycin, kanamycin and gentamicin biosynthesis; map00630 Glyoxylate and dicarboxylate metabolism; map00650 Butanoate metabolism; map00660 C5-Branched dibasic acid metabolism; map00860 Porphyrin and chlorophyll metabolism; map00910 Nitrogen metabolism; map00970 Aminoacyl-tRNA biosynthesis; map00999 Biosynthesis of secondary metabolites - unclassified; map01060 Biosynthesis of plant secondary metabolites; map01064 Biosynthesis of alkaloids derived from ornithine, lysine and nicotinic acid; map01100 Metabolic pathways; map01110 Biosynthesis of secondary metabolites; map01120 Microbial metabolism in diverse environments; map01130 Biosynthesis of antibiotics; map01200 Carbon metabolism; map01210 2-Oxocarboxylic acid metabolism; map01230 Biosynthesis of amino acids; map02010 ABC transporters; map02020 Two-component system; map04068 FoxO signaling pathway; map04072 Phospholipase D signaling pathway; map04080 Neuroactive ligand-receptor interaction; map04216 Ferroptosis; map04540 Gap junction; map04713 Circadian entrainment; map04720 Long-term potentiation; map04721 Synaptic vesicle cycle; map04723 Retrograde endocannabinoid signaling; map04724 Glutamatergic synapse; map04727 GABAergic synapse; map04730 Long-term depression; map04742 Taste transduction; map04964 Proximal tubule bicarbonate reclamation; map04974 Protein digestion and absorption; map05014 Amyotrophic lateral sclerosis (ALS); map05016 Huntington disease; map05030 Cocaine addiction; map05031 Amphetamine addiction; map05033 Nicotine addiction; map05034 Alcoholism; map05230 Central carbon metabolism in cancer
+C04518	17-alpha,20-alpha-Dihydroxypregn-4-en-3-one	HMDB0011653	440368	16418	C04518	NA	C[C@@H]([C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)O)O	Lipids and lipid-like molecules	Steroids and steroid derivatives	Pregnane steroids	map00140 Steroid hormone biosynthesis
+C05951	Leukotriene D4	HMDB0003080	6435286	1044940	C05951	3583	CCCCC/C=C\C/C=C\C=C\C=C\[C@H]([C@H](CCCC(=O)O)O)SCC(C(=O)NCC(=O)O)N	Lipids and lipid-like molecules	Fatty Acyls	Eicosanoids	map00590 Arachidonic acid metabolism; map01100 Metabolic pathways; map04080 Neuroactive ligand-receptor interaction; map04664 Fc epsilon RI signaling pathway; map05310 Asthma
+HMDB0035518	1-[1,4-Dihydro-4-nonyl-5-(1-oxodecyl)-3-pyridinyl]-1-dodecanone	HMDB0035518	NA	NA		NA	CCCCCCCCCCCC(=O)C1=CNC=C(C1CCCCCCCCC)C(=O)CCCCCCCCC	Organoheterocyclic compounds	Pyridines and derivatives	Hydropyridines	NA
+HMDB0000789	Pentacarboxylporphyrin I	HMDB0000789	NA	NA		5755	CC1=C(CCC(O)=O)/C2=C/C3=C(CCC(O)=O)C(CC(O)=O)=C(N3)\C=C3/N=C(/C=C4\N=C(\C=C\1/N\2)C(C)=C4CCC(O)=O)C(C)=C3CCC(O)=O	Organoheterocyclic compounds	Tetrapyrroles and derivatives	Porphyrins	NA
+C08073	Natamycin	HMDB0014964	5281099	NA	C08073	NA	C[C@@H]1C/C=C/C=C/C=C/C=C/[C@@H](C[C@H]2[C@@H]([C@H](C[C@](O2)(C[C@H](C[C@@H]3[C@H](O3)/C=C/C(=O)O1)O)O)O)C(=O)O)OC4[C@H]([C@H]([C@@H]([C@H](O4)C)O)N)O	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates	map01052 Type I polyketide structures
+HMDB0010039	PIP2(16:0/20:1(11Z))	HMDB0010039	53480230	NA	C00626	NA	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@@H]1C([C@@H](C(C(C1O)O)OP(=O)(O)O)OP(=O)(O)O)O)OC(=O)CCCCCCCCC/C=C\CCCCCCCC	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoinositol phosphates	NA
+HMDB0029335	Mucronine D	HMDB0029335	16058117	NA	C10009	NA	CCC(C)C1C(=O)N/C=C\C2=C(C=CC(=C2)OC3CCN(C3C(=O)N1)C(=O)C(CC(C)C)NC(=O)C(CC4=CC=CC=C4)N(C)C)OC	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	NA
+HMDB0031673	Armillarilin	HMDB0031673	21126389	NA		NA	CC1=CC(=CC(=C1C(=O)OC2CC3(C2(C(=CC4(C3CC(C4)(C)C)O)C=O)O)C)O)OC	Lipids and lipid-like molecules	Prenol lipids	Sesquiterpenoids	NA
+HMDB0035433	Canarigenin 3-[glucosyl-(1->4)-6-deoxy-alloside]	HMDB0035433	NA	NA		NA	CC1OC(OC2CCC3(C)C4CCC5(C)C(CCC5(O)C4CCC3=C2)C2=CC(=O)OC2)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O	Lipids and lipid-like molecules	Steroids and steroid derivatives	Steroidal glycosides	NA
+C03248	Acetylenedicarboxylate	METPA0378	NA	NA	C03248	NA	NA	null	null	null	map00620 Pyruvate metabolism
+C04604	3-Hydroxy-2-methylpyridine-4,5-dicarboxylate	HMDB0006955	440403	17978	C04604	NA	CC1=NC=C(C(=C1O)C(=O)O)C(=O)O	Organoheterocyclic compounds	Pyridines and derivatives	Pyridinecarboxylic acids and derivatives	map00750 Vitamin B6 metabolism; map01120 Microbial metabolism in diverse environments
+C07572	Citalopram	HMDB0005038	2771	3723	C07572	1781	CN(C)CCCC1(C2=C(CO1)C=C(C=C2)C#N)C3=CC=C(C=C3)F	Benzenoids	Benzene and substituted derivatives	Phenylbutylamines	map00982 Drug metabolism - cytochrome P450
+HMDB0030407	Merodesmosine	HMDB0030407	NA	NA		NA	NC(CCCCNC\C(CCC(N)C(O)=O)=C\CCCC(N)C(O)=O)C(O)=O	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	NA
+HMDB0030655	Calabaxanthone	HMDB0030655	341188	NA		NA	CC(=CCC1=C(C=CC2=C1C(=O)C3=C(C4=C(C=C3O2)OC(C=C4)(C)C)O)OC)C	Organoheterocyclic compounds	Benzopyrans	1-benzopyrans	NA
+C01152	1-Methylhistidine	HMDB0000001	92105	50599	C01152	3741	CN1C=C(N=C1)C[C@@H](C(=O)O)N	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	map00340 Histidine metabolism
+C07481	Caffeine	HMDB0001847	2519	27732	C07481	1455	CN1C=NC2=C1C(=O)N(C(=O)N2C)C	Organoheterocyclic compounds	Imidazopyrimidines	Purines and purine derivatives	map00232 Caffeine metabolism; map01060 Biosynthesis of plant secondary metabolites; map01065 Biosynthesis of alkaloids derived from histidine and purine; map01100 Metabolic pathways; map01110 Biosynthesis of secondary metabolites; map01120 Microbial metabolism in diverse environments
+HMDB0028916	Isoleucyl-Serine	HMDB0028916	NA	NA		NA	CCC(C)C(N)C(=O)NC(CO)C(O)=O	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	NA
+C00328	L-Kynurenine	HMDB0000684	161166	16946	C00328	72	C1=CC=C(C(=C1)C(=O)C[C@@H](C(=O)O)N)N	Organic oxygen compounds	Organooxygen compounds	Carbonyl compounds	map00380 Tryptophan metabolism; map01100 Metabolic pathways; map05143 African trypanosomiasis
+HMDB0034579	8-O-Methyloblongine	HMDB0034579	NA	NA		NA	COC1=C(OC)C2=C(CC[N+](C)(C)C2CC2=CC=C(O)C=C2)C=C1	Organoheterocyclic compounds	Isoquinolines and derivatives	Benzylisoquinolines	NA
+HMDB0035867	11,13-Dihydrotaraxinic acid glucosyl ester	HMDB0035867	NA	NA		NA	CC1[C@@H]2CCC(=CCC\C(C)=C\[C@H]2OC1=O)C(=O)O[C@@H]1[C@@H](O)[C@H](O)O[C@H](CO)[C@H]1O	Lipids and lipid-like molecules	Saccharolipids	null	NA
+HMDB0035697	Momordicoside E	HMDB0035697	NA	NA		NA	CC(C=O)C1CCC2(C)C3CC=C4C(CCC(OC5OC(COC6OC(CO)C(O)C(O)C6O)C(O)C(O)C5O)C4(C)C)C3(C)CCC12C	Lipids and lipid-like molecules	Steroids and steroid derivatives	Steroidal glycosides	NA
+HMDB0013488	PGP(16:1(9Z)/16:1(9Z))	HMDB0013488	53481808	NA		NA	CCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@H](COP(=O)(O)O)O)OC(=O)CCCCCCC/C=C\CCCCCC	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoglycerophosphates	NA
+HMDB0029618	Macrophorin D	HMDB0029618	NA	NA		NA	CC(O)(CC(O)=O)CC(=O)OCC1=CC(=O)C2(CC3C(=C)CCC4C(C)(C)CCCC34C)OC2C1O	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	NA
+C04089	UDP-4-dehydro-6-deoxy-D-glucose	HMDB0012300	440219	16553	C04089	NA	C[C@@H]1C(=O)[C@@H]([C@H]([C@@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)O)O	null	null	null	map00520 Amino sugar and nucleotide sugar metabolism
+HMDB0034595	Aginoside progenin	HMDB0034595	NA	NA		NA	CC1C2C(CC3C4CC(O)C5CC(OC6OC(CO)C(OC7OC(CO)C(O)C(O)C7O)C(O)C6O)C(O)CC5(C)C4CCC23C)OC11CCC(C)CO1	Lipids and lipid-like molecules	Steroids and steroid derivatives	Steroidal glycosides	NA
+C07256	Nefazodone	HMDB0015280	4449	7494	C07256	NA	CCC1=NN(C(=O)N1CCOC2=CC=CC=C2)CCCN3CCN(CC3)C4=CC(=CC=C4)Cl	Organoheterocyclic compounds	Diazinanes	Piperazines	NULL
+C06917	Clomifene	HMDB0015020	1548953	192984	C06917	NA	CCN(CC)CCOC1=CC=C(C=C1)/C(=C(\C2=CC=CC=C2)/Cl)/C3=CC=CC=C3	null	null	null	NULL
+HMDB0011478	LysoPE(0:0/18:3(6Z,9Z,12Z))	HMDB0011478	53480927	NA		NA	CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)O[C@H](CO)COP(=O)(O)OCCN	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines	NA
+HMDB0008183	PC(18:3(6Z,9Z,12Z)/22:0)	HMDB0008183	52922811	NA	C00157	NA	CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC)COP(=O)([O-])OCC[N+](C)(C)C	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphocholines	NA
+C07220	Mexiletine	HMDB0014523	4178	6916	C07220	NA	CC1=C(C(=CC=C1)C)OCC(C)N	Benzenoids	Phenol ethers	null	NULL
+HMDB0032346	(+/-)-Isobutyl 3-methylthiobutyrate	HMDB0032346	54281757	NA		NA	CC(C)COC(=O)CC(C)SC	Lipids and lipid-like molecules	Fatty Acyls	Fatty acid esters	NA
+C12786	Dinoprost Tromethamine	HMDB0015291	5282415	774847	C12786	NA	CCCCC[C@@H](/C=C/[C@H]1[C@@H](C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)O)O)O.C(C(CO)(CO)N)O	null	null	null	NULL
+C05575	L-Histidine trimethylbetaine	HMDB0029422	3083620	15781	C05575	NA	C[N+](C)(C)C(CC1=CN=CN1)C(=O)[O-]	null	null	null	map00340 Histidine metabolism
+HMDB0007380	DG(20:0/22:5(4Z,7Z,10Z,13Z,16Z)/0:0)	HMDB0007380	53478198	NA		NA	CCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC	Lipids and lipid-like molecules	Glycerolipids	Diradylglycerols	NA
+C00423	trans-Cinnamic acid	HMDB0000930	444539	35697	C00423	5880	C1=CC=C(C=C1)/C=C/C(=O)O	null	null	null	map00130 Ubiquinone and other terpenoid-quinone biosynthesis; map00360 Phenylalanine metabolism; map00940 Phenylpropanoid biosynthesis; map01060 Biosynthesis of plant secondary metabolites; map01070 Biosynthesis of plant hormones; map01100 Metabolic pathways; map01110 Biosynthesis of secondary metabolites; map01120 Microbial metabolism in diverse environments; map01220 Degradation of aromatic compounds
+HMDB0000705	Hexanoylcarnitine	HMDB0000705	6426853	70749		5673	CCCCCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C	Lipids and lipid-like molecules	Fatty Acyls	Fatty acid esters	NA
+C05322	7-O-Acetylsalutaridinol	METPA0579	NA	NA	C05322	NA	NA	null	null	null	map00950 Isoquinoline alkaloid biosynthesis; map01100 Metabolic pathways; map01110 Biosynthesis of secondary metabolites
+HMDB0010364	11-Hydroxyprogesterone 11-glucuronide	HMDB0010364	42621273	NA		NA	CC(=O)[C@H]1CCC2[C@@]1(CC(C3C2CCC4=CC(=O)CC[C@]34C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)C	Lipids and lipid-like molecules	Steroids and steroid derivatives	Steroidal glycosides	NA
+HMDB0015449	Iohexol	HMDB0015449	3730	31709		NA	CC(=O)N(CC(CO)O)C1=C(C(=C(C(=C1I)C(=O)NCC(CO)O)I)C(=O)NCC(CO)O)I	Benzenoids	Benzene and substituted derivatives	Anilides	NA
+C04112	3-Methyl-cis,cis-hexadienedioate	METPA1857	NA	NA	C04112	NA	NA	null	null	null	map00623 Toluene degradation; map01120 Microbial metabolism in diverse environments; map01220 Degradation of aromatic compounds
+HMDB0004979	Glucosylceramide (d18:1/25:0)	HMDB0004979	20057360	NA	C01190	7232	CCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)[C@@H](/C=C/CCCCCCCCCCCCC)O	Lipids and lipid-like molecules	Sphingolipids	Glycosphingolipids	NA
+HMDB0029830	N-Caffeoyltryptophan	HMDB0029830	10428959	NA		NA	C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)NC(=O)/C=C/C3=CC(=C(C=C3)O)O	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	NA
+HMDB0015049	Anileridine	HMDB0015049	8944	61203		NA	CCOC(=O)C1(CCN(CC1)CCC2=CC=C(C=C2)N)C3=CC=CC=C3	Organoheterocyclic compounds	Piperidines	Phenylpiperidines	NA
+C05795	D-Urobilin	HMDB0004161	6276321	NA	C05795	NA	CCC1=C(C(=O)NC1CC2=C(C(=C(N2)/C=C\3/C(=C(C(=N3)CC4C(=C(C(=O)N4)C=C)C)C)CCC(=O)O)CCC(=O)O)C)C	null	null	null	map00860 Porphyrin and chlorophyll metabolism; map01100 Metabolic pathways; map01110 Biosynthesis of secondary metabolites
+HMDB0015521	Sulfamerazine	HMDB0015521	5325	102130		NA	CC1=NC(=NC=C1)NS(=O)(=O)C2=CC=C(C=C2)N	Benzenoids	Benzene and substituted derivatives	Benzenesulfonamides	NA
+C15559	N-[(3a,5b,7a)-3-hydroxy-24-oxo-7-(sulfooxy)cholan-24-yl]-Glycine	HMDB0002496	11954205	52031	C15559	6701	C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)OS(=O)(=O)O)C	Lipids and lipid-like molecules	Steroids and steroid derivatives	Bile acids, alcohols and derivatives	NULL
+HMDB0007004	CPA(18:0/0:0)	HMDB0007004	51040919	NA		NA	CCCCCCCCCCCCCCCCCC(=O)OCC1COP(=O)(O1)O	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphates	NA
+HMDB0034361	Olitorin	HMDB0034361	3587049	NA		NA	CC1C(C(CC(O1)OC2CCC3(C4CCC5(C(CCC5(C4CCC3(C2)O)O)C6=CC(=O)OC6)C)C=O)O)OC7C(C(C(C(O7)CO)O)O)O	Lipids and lipid-like molecules	Steroids and steroid derivatives	Steroid lactones	NA
+C05589	Normetanephrine	HMDB0000819	1237	144308	C05589	66	COC1=C(C=CC(=C1)C(CN)O)O	null	null	null	map00350 Tyrosine metabolism; map01100 Metabolic pathways
+HMDB0013302	Phenylalanylphenylalanine	HMDB0013302	65104	356630		NA	C1=CC=C(C=C1)CC(C(=O)NC(CC2=CC=CC=C2)C(=O)O)N	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	NA
+C06999	Fexofenadine	HMDB0005030	3348	5050	C06999	2766	CC(C)(C1=CC=C(C=C1)C(CCCN2CCC(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)O)C(=O)O	Benzenoids	Benzene and substituted derivatives	Diphenylmethanes	map04976 Bile secretion
+C00378	Thiamine	HMDB0000235	1130	18385	C00378	5242	CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCO	Organoheterocyclic compounds	Diazines	Pyrimidines and pyrimidine derivatives	map00730 Thiamine metabolism; map01100 Metabolic pathways; map02010 ABC transporters; map04122 Sulfur relay system; map04977 Vitamin digestion and absorption
+C02161	Questiomycin A	HMDB0030483	72725	17293	C02161	NA	C1=CC=C2C(=C1)N=C3C=C(C(=O)C=C3O2)N	Organoheterocyclic compounds	Benzoxazines	Phenoxazines	map00380 Tryptophan metabolism
+C00085	Fructose 6-phosphate	HMDB0000124	69507	15946	C00085	5159	C([C@H]([C@H]([C@@H](C(=O)CO)O)O)O)OP(=O)(O)O	null	null	null	map00052 Galactose metabolism; map00500 Starch and sucrose metabolism; map00680 Methane metabolism; map00710 Carbon fixation in photosynthetic organisms; map01100 Metabolic pathways; map01120 Microbial metabolism in diverse environments; map01200 Carbon metabolism; map04152 AMPK signaling pathway; map04922 Glucagon signaling pathway; map04931 Insulin resistance; map05230 Central carbon metabolism in cancer
+HMDB0033207	Coagulin R 3-glucoside	HMDB0033207	NA	NA		NA	CC1=C(C)C(=O)OC(C1)C1(C)OC23CCC1(O)C2(C)CCC1C3CC=C2CC(CC(=O)C12C)OC1OC(CO)C(O)C(O)C1O	Lipids and lipid-like molecules	Steroids and steroid derivatives	Steroid lactones	NA
+C04216	All-trans-heptaprenyl diphosphate	HMDB0012187	5280658	17613	C04216	NA	CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/COP(=O)(O)OP(=O)(O)O)/C)/C)/C)/C)/C)/C)C	Lipids and lipid-like molecules	Prenol lipids	Polyprenols	map00900 Terpenoid backbone biosynthesis; map01110 Biosynthesis of secondary metabolites
+C07184	Valaciclovir	HMDB0014716	60773	35854	C07184	NA	CC(C)[C@@H](C(=O)OCCOCN1C=NC2=C1NC(=NC2=O)N)N	null	null	null	map04976 Bile secretion
+HMDB0005096	N-Arachidonoyl glycine	HMDB0005096	5283389	58961		NA	CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCC(=O)O	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	NA
+HMDB0030186	(E,E,E)-Sylvatine	HMDB0030186	NA	NA		NA	CC(C)CCC\C=C\CCCC\N=C(/O)\C=C\C=C/C1=CC2=C(OCO2)C=C1	Organoheterocyclic compounds	Benzodioxoles	null	NA
+HMDB0030200	Hovenine A	HMDB0030200	5318090	NA		NA	CCC(C)C(C(=O)NC1C(OC2=CC=C(C=C2)/C=C\NC(=O)C(NC1=O)CC(C)C)C(C)C)NC	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	NA
+HMDB0033899	Ixocarpanolide	HMDB0033899	NA	NA		NA	CC1CC(OC(=O)C1C)C(C)(O)C1CCC2C3C4OC4C4(O)CC=CC(=O)C4(C)C3CCC12C	Lipids and lipid-like molecules	Steroids and steroid derivatives	Steroid lactones	NA
+HMDB0010355	Cholestane-3,7,12,25-tetrol-3-glucuronide	HMDB0010355	42622727	NA	C03033	NA	C[C@H](CCCC(C)(C)O)[C@H]1CCC2[C@@]1([C@@H](CC3C2C(CC4[C@@]3(CCC(C4)O[C@H]5[C@@H]([C@@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)C)O)O)C	Lipids and lipid-like molecules	Steroids and steroid derivatives	Steroidal glycosides	NA
+C11135	Androsterone glucuronide	HMDB0002829	114833	28832	C11135	2796	C[C@]12CC[C@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O	Lipids and lipid-like molecules	Steroids and steroid derivatives	Steroidal glycosides	map00140 Steroid hormone biosynthesis
+C01851	Scopolamine	HMDB0003573	NA	16794	C01851	3433	CN1[C@H]2C[C@@H](C[C@@H]1[C@H]1O[C@@H]21)OC(=O)[C@H](CO)C1=CC=CC=C1	null	null	null	map00960 Tropane, piperidine and pyridine alkaloid biosynthesis; map01064 Biosynthesis of alkaloids derived from ornithine, lysine and nicotinic acid; map01100 Metabolic pathways; map01110 Biosynthesis of secondary metabolites
+HMDB0032844	4,5-Dihydroniveusin A	HMDB0032844	NA	NA		NA	C\C=C(\C)C(=O)OC1CC2(C)OC(O)(CC2O)C(CO)CC2OC(=O)C(=C)C12	Lipids and lipid-like molecules	Prenol lipids	Terpene lactones	NA
+HMDB0035590	15-Acetoxyscirpene-3,4-diol 4-O-a-D-glucopyranoside	HMDB0035590	NA	NA		NA	CC(=O)OCC12CCC(C)=CC1OC1C(O)C(OC3OC(CO)C(O)C(O)C3O)C2(C)C11CO1	Lipids and lipid-like molecules	Prenol lipids	Sesquiterpenoids	NA
+HMDB0034610	Zucchini factor B	HMDB0034610	NA	NA		NA	CC1(COC(=O)C2=CC=CC=C2)CCC2(C)CCC3(C)C4=CCC5C(C)(C)C(CCC5(C)C4=CCC3(C)C2C1)OC(=O)C1=CC=C(N)C=C1	Lipids and lipid-like molecules	Prenol lipids	Triterpenoids	NA
+HMDB0029944	Ascorbalamic acid	HMDB0029944	NA	NA		NA	OC1COC(O)(C1O)C1(O)CC(N=C1O)C(O)=O	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	NA
+C00954	Indoleacetic acid	HMDB0000197	802	16411	C00954	5211	C1=CC=C2C(=C1)C(=CN2)CC(=O)O	Organoheterocyclic compounds	Indoles and derivatives	Indolyl carboxylic acids and derivatives	map00380 Tryptophan metabolism; map01070 Biosynthesis of plant hormones; map01100 Metabolic pathways; map04075 Plant hormone signal transduction
+HMDB0000140	Glucosylceramide	HMDB0000140	53477677	NA	C01190	NA	CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1[C@@H]([C@H](C([C@H](O1)CO)O)O)O)[C@@H](/C=C/CCCCCCCCCCCCC)O	Lipids and lipid-like molecules	Sphingolipids	Glycosphingolipids	NA
+C06810	Aciclovir	HMDB0014925	2022	2453	C06810	NA	C1=NC2=C(N1COCCO)NC(=NC2=O)N	Organoheterocyclic compounds	Imidazopyrimidines	Purines and purine derivatives	map04976 Bile secretion
+C16355	7-Methyluric acid	HMDB0011107	69160	149744	C16355	NA	CN1C2=C(NC(=O)NC2=O)NC1=O	Organoheterocyclic compounds	Imidazopyrimidines	Purines and purine derivatives	map00232 Caffeine metabolism
+HMDB0028891	Histidinyl-Methionine	HMDB0028891	NA	NA		NA	CSCCC(NC(=O)C(N)CC1=CN=CN1)C(O)=O	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	NA
+HMDB0012632	20-CoA-20-oxo-leukotriene B4	HMDB0012632	53481505	NA		NA	CC(C)(COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@@H]([C@@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)([O-])[O-])C(C(=O)NCCC(=O)NCCSC(=O)CCCC/C=C\C[C@@H](/C=C/C=C/C=C\[C@@H](CCCC(=O)O)O)O)O	Lipids and lipid-like molecules	Fatty Acyls	Fatty acyl thioesters	NA
+C02679	Dodecanoic acid	HMDB0000638	3893	30805	C02679	5611	CCCCCCCCCCCC(=O)O	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	map00061 Fatty acid biosynthesis; map00333 Prodigiosin biosynthesis; map01100 Metabolic pathways; map01130 Biosynthesis of antibiotics
+C08331	Gynocardin	HMDB0029913	122812	NA	C08331	NA	C1=CC(C(C1O)O)(C#N)OC2C(C(C(C(O2)CO)O)O)O	null	null	null	NULL
+C00544	Homogentisic acid	HMDB0000130	780	44747	C00544	331	C1=CC(=C(C=C1O)CC(=O)O)O	Benzenoids	Benzene and substituted derivatives	Phenylacetic acids	map00130 Ubiquinone and other terpenoid-quinone biosynthesis; map00350 Tyrosine metabolism; map00643 Styrene degradation; map01100 Metabolic pathways; map01120 Microbial metabolism in diverse environments
+HMDB0028981	Methionyl-Proline	HMDB0028981	NA	NA		NA	CSCCC(N)C(=O)N1CCCC1C(O)=O	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	NA
+HMDB0031184	N-Isobutyl-2,4,8,10,12-tetradecapentaenamide	HMDB0031184	5318518	NA		NA	C/C=C/C=C/C=C/CC/C=C/C=C/C(=O)NCC(C)C	Lipids and lipid-like molecules	Fatty Acyls	Fatty amides	NA
+HMDB0029336	Nummularine A	HMDB0029336	NA	NA	C10011	NA	CCC(C)C1\N=C(O)\C2C(CCN2C(=O)C(CC(C)C)\N=C(/O)C(CC2=CC=CC=C2)NC)OC2=CC=C(OC)C(=C2)\C=C\N=C1\O	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	NA
+HMDB0008858	PE(14:1(9Z)/16:1(9Z))	HMDB0008858	52924133	NA	C00350	NA	CCCCCC/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCC)COP(=O)(O)OCCN	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines	NA
+HMDB0033499	Lyciumoside IV	HMDB0033499	NA	NA		NA	CC1OC(OC2C(CO)OC(OC(C)(CC\C=C(/C)CC\C=C(\C)CC\C=C(/C)COC3OC(CO)C(O)C(O)C3O)C=C)C(O)C2O)C(O)C(O)C1O	Lipids and lipid-like molecules	Prenol lipids	Terpene glycosides	NA
+HMDB0013240	Indoleacetyl glutamine	HMDB0013240	25200879	70811		NA	C1=CC=C2C(=C1)C(=CN2)CC(=O)NC(CCC(=O)N)C(=O)O	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	NA
+HMDB0028979	Methionyl-Methionine	HMDB0028979	NA	NA		NA	CSCCC(N)C(=O)NC(CCSC)C(O)=O	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	NA
+C08277	Sebacic acid	HMDB0000792	5192	41865	C08277	4240	C(CCCCC(=O)O)CCCC(=O)O	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	NULL
+C01069	Desulfoglucotropeolin	METPA1778	NA	NA	C01069	NA	NA	null	null	null	map00966 Glucosinolate biosynthesis; map01110 Biosynthesis of secondary metabolites; map01210 2-Oxocarboxylic acid metabolism
+HMDB0000386	3b,16a-Dihydroxyandrostenone sulfate	HMDB0000386	NA	NA		5375	[H][C@@]12C[C@H](C[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2CC(O)=CC(=O)[C@]12C)OS(O)(=O)=O	Lipids and lipid-like molecules	Steroids and steroid derivatives	Sulfated steroids	NA
+C02838	L-Octanoylcarnitine	HMDB0000791	11953814	18102	C02838	NA	CCCCCCCC(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C	Lipids and lipid-like molecules	Fatty Acyls	Fatty acid esters	NULL
+C05956	Prostaglandin G2	HMDB0003235	5280883	27647	C05956	3508	CCCCC[C@@H](/C=C/[C@H]1[C@H]2C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)OO2)OO	Lipids and lipid-like molecules	Fatty Acyls	Eicosanoids	map00590 Arachidonic acid metabolism; map01100 Metabolic pathways; map04611 Platelet activation; map04726 Serotonergic synapse; map07034 Eicosanoids
+HMDB0010344	Vitamin D2 3-glucuronide	HMDB0010344	6443809	NA		NA	C[C@H](/C=C/[C@H](C)C(C)C)[C@H]1CCC\2[C@@]1(CCC/C2=C\C=C\3/CC(CCC3=C)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)C	Lipids and lipid-like molecules	Steroids and steroid derivatives	Vitamin D and derivatives	NA
+HMDB0010393	LysoPC(20:3(5Z,8Z,11Z))	HMDB0010393	53480467	NA	C04230	NA	CCCCCCCC/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)O	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphocholines	NA
+C00903	Cinnamaldehyde	HMDB0003441	637511	16731	C00903	6931	C1=CC=C(C=C1)/C=C/C=O	Phenylpropanoids and polyketides	Cinnamaldehydes	null	map00940 Phenylpropanoid biosynthesis; map01060 Biosynthesis of plant secondary metabolites; map01100 Metabolic pathways; map01110 Biosynthesis of secondary metabolites; map04750 Inflammatory mediator regulation of TRP channels
+HMDB0032995	2-Undecyl-4(1H)-quinolinone N-oxide	HMDB0032995	NA	NA		NA	CCCCCCCCCCCC1=CC(=O)C2=C(C=CC=C2)[N]1=O	Organoheterocyclic compounds	Quinolines and derivatives	Quinolones and derivatives	NA
+HMDB0033335	Antibiotic X 14889C	HMDB0033335	NA	NA		NA	CCC(C1OC(C)(CC1C)C1(O)OC(CC)(CC1C)C(C)O)C(=O)C(C)C(O)C(C)C1OC(O)(CC(O)=O)C(C)CC1C	Lipids and lipid-like molecules	Prenol lipids	Sesterterpenoids	NA
+HMDB0008832	PE(14:0/18:4(6Z,9Z,12Z,15Z))	HMDB0008832	52924941	NA	C00350	NA	CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines	NA
+HMDB0015585	Chlophedianol	HMDB0015585	2795	775264		NA	CN(C)CCC(C1=CC=CC=C1)(C2=CC=CC=C2Cl)O	Benzenoids	Benzene and substituted derivatives	Diphenylmethanes	NA
+C05200	3-Hexaprenyl-4,5-Dihydroxybenzoic acid	HMDB0001063	5280760	18081	C05200	5976	CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC1=C(C(=CC(=C1)C(=O)O)O)O)/C)/C)/C)/C)/C)C	Lipids and lipid-like molecules	Prenol lipids	Polyprenylphenols	map00130 Ubiquinone and other terpenoid-quinone biosynthesis; map01110 Biosynthesis of secondary metabolites
+C06848	Betamethasone	HMDB0014586	9782	3077	C06848	NA	C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)CO)O)C)O)F)C	Lipids and lipid-like molecules	Steroids and steroid derivatives	Hydroxysteroids	NULL
+C01691	Diflunisal	HMDB0014999	3059	39669	C01691	NA	C1=CC(=C(C=C1C2=C(C=C(C=C2)F)F)C(=O)O)O	Benzenoids	Benzene and substituted derivatives	Biphenyls and derivatives	NULL
+C00735	Cortisol	HMDB0000063	657311	NA	C00735	5124	C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@]4(C(=O)CO)O)C)O	Lipids and lipid-like molecules	Steroids and steroid derivatives	Hydroxysteroids	map00140 Steroid hormone biosynthesis; map01100 Metabolic pathways; map04080 Neuroactive ligand-receptor interaction; map04927 Cortisol synthesis and secretion; map04934 Cushing syndrome; map04960 Aldosterone-regulated sodium reabsorption; map04976 Bile secretion; map05200 Pathways in cancer; map05215 Prostate cancer; map07225 Glucocorticoid and mineralocorticoid receptor agonists/antagonists
+HMDB0034637	Phytolaccoside E	HMDB0034637	NA	NA		NA	COC(=O)C1(C)CCC2(CCC3(C)C(=CCC4C5(C)CC(O)C(OC6OCC(OC7OC(CO)C(O)C(O)C7O)C(O)C6O)C(C)(CO)C5CCC34C)C2C1)C(O)=O	Lipids and lipid-like molecules	Prenol lipids	Triterpenoids	NA
+HMDB0031919	Chaetoglobosin N	HMDB0031919	NA	NA		NA	CC(C1NC(=O)C23C1C(C)C1(C)OC1C2\C=C\CC(C)\C=C(C)/C(=O)C(=O)CCC3=O)C1=CNC2=C1C=CC=C2	Alkaloids and derivatives	Cytochalasans	Chaetoglobosins	NA
+HMDB0004897	Ganglioside GA2 (d18:1/24:0)	HMDB0004897	22833622	NA	C06135	7154	CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1C([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)NC(=O)C)O)O)O)O)[C@@H](/C=C/CCCCCCCCCCCCC)O	Lipids and lipid-like molecules	Sphingolipids	Glycosphingolipids	NA
+C06688	Rifampin	HMDB0015179	NA	28077	C06688	NA	[H]C(=NN1CCN(C)CC1)C1=C(O)C2=C3C(O)=C(C)C4=C2C(=O)[C@](C)(O4)O\C([H])=C([H])/[C@]([H])(OC)[C@@]([H])(C)[C@@]([H])(OC(C)=O)[C@]([H])(C)[C@]([H])(O)[C@]([H])(C)[C@@]([H])(O)[C@@]([H])(C)C([H])=C([H])\C([H])=C(C)/C(O)=NC1=C3O	null	null	null	map04976 Bile secretion
+HMDB0030205	Jubanine A	HMDB0030205	NA	NA		NA	CCC(C)C1\N=C(O)\C2C(CCN2C(=O)C(CC2=CC=CC=C2)\N=C(/O)C(CC2=CC=CC=C2)N(C)C)OC2=CC=C(OC)C(=C2)\C=C\N=C1\O	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	NA
+HMDB0031611	Cyanidin 3-O-[b-D-Glucopyranosyl-(1->2)-[3,4-dihydroxy-E-cinnamoyl-(->6)]-b-D-glucopyranoside] 5-glucoside	HMDB0031611	NA	NA		NA	OCC1OC(OC2C(O)C(O)C(COC(=O)\C=C\C3=CC(O)=C(O)C=C3)OC2OC2=C([O+]=C3C=C(O)C=C(OC4OC(CO)C(O)C(O)C4O)C3=C2)C2=CC(O)=C(O)C=C2)C(O)C(O)C1O	Phenylpropanoids and polyketides	Flavonoids	Flavonoid glycosides	NA
+C16505	(10S)-Juvenile hormone III diol	METPA1787	NA	NA	C16505	NA	NA	null	null	null	map00981 Insect hormone biosynthesis
+HMDB0033389	C.I. Food Black 1	HMDB0033389	NA	NA		NA	CC(=O)NC1=CC=C(C2=CC(=C(\N=N\C3=C4C=C(C=CC4=C(C=C3)\N=N\C3=CC=C(C=C3)S(O)(=O)=O)S(O)(=O)=O)C(O)=C12)S(O)(=O)=O)S(O)(=O)=O	Benzenoids	Naphthalenes	Naphthalene sulfonic acids and derivatives	NA
+HMDB0035449	1beta,2alpha,3beta,19alpha-Tetrahydroxy-12-ursen-28-oic acid 28-O-[b-D-Glucopyranosyl-(1->2)-b-D-glucopyranosyl] ester	HMDB0035449	NA	NA		NA	CC1CCC2(CCC3(C)C(=CCC4C3(C)CCC3C(C)(C)C(O)C(O)C(O)C43C)C2C1(C)O)C(=O)OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O	Lipids and lipid-like molecules	Prenol lipids	Terpene glycosides	NA
+C01464	Xanthan	HMDB0029923	NA	10057	C01464	NA	CC(=O)OCC1OC(OC2C(O)C(CP)OC(CO)C2OC2OC(CO)C(OP)C(O)C2O)C(OC2OC(C(OC3OC4COC(C)(OC4C(O)C3O)C(O)=O)C(O)C2O)C(O)=O)C(O)C1O	null	null	null	NULL
+C06424	Myristic acid	HMDB0000806	11005	28875	C06424	196	CCCCCCCCCCCCCC(=O)O	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	map00061 Fatty acid biosynthesis; map01100 Metabolic pathways
+HMDB0004837	Galabiosylceramide (d18:1/24:1(15Z))	HMDB0004837	20057278	NA	C06126	7096	CCCCCCCCCCCCC/C=C\C(C(CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)O)NC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC)O	Lipids and lipid-like molecules	Sphingolipids	Glycosphingolipids	NA
+HMDB0008825	PE(14:0/16:1(9Z))	HMDB0008825	52924945	NA	C00350	NA	CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCC/C=C\CCCCCC	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines	NA
+C00413	Streptomycin	HMDB0015214	19649	17076	C00413	NA	C[C@H]1[C@@]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H]([C@@H]([C@H]2O)O)N=C(N)N)O)N=C(N)N)O[C@H]3[C@H]([C@@H]([C@H]([C@@H](O3)CO)O)O)NC)(C=O)O	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates	map00521 Streptomycin biosynthesis; map01130 Biosynthesis of antibiotics
+HMDB0033427	Betavulgaroside VII	HMDB0033427	NA	NA		NA	CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(O)C(OC(OCC(O)=O)C(O)C(O)=O)C6O)C(O)=O)C(C)(CO)C5CCC34C)C2C1)C(O)=O	Lipids and lipid-like molecules	Prenol lipids	Terpene glycosides	NA
+HMDB0015616	Telaprevir	HMDB0015616	3010818	494996		NA	CCC[C@@H](C(=O)C(=O)NC1CC1)NC(=O)[C@@H]2[C@H]3CCC[C@H]3CN2C(=O)[C@H](C(C)(C)C)NC(=O)[C@H](C4CCCCC4)NC(=O)C5=NC=CN=C5	Organic acids and derivatives	Peptidomimetics	Hybrid peptides	NA
+HMDB0013239	Heptanoylcholine	HMDB0013239	18025	NA		NA	CCCCCCC(=O)OCC[N+](C)(C)C	Organic nitrogen compounds	Organonitrogen compounds	Quaternary ammonium salts	NA
+C00397	Tobramycin	HMDB0014822	36294	28864	C00397	NA	C1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)N)O)O)O[C@@H]3[C@@H](C[C@@H]([C@H](O3)CN)O)N)N	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates	map00524 Neomycin, kanamycin and gentamicin biosynthesis; map01130 Biosynthesis of antibiotics
+C07241	Salmeterol	HMDB0015073	5152	64064	C07241	NA	C1=CC=C(C=C1)CCCCOCCCCCCNCC(C2=CC(=C(C=C2)O)CO)O	Benzenoids	Benzene and substituted derivatives	Benzyl alcohols	NULL
+HMDB0015315	Domperidone	HMDB0015315	3151	31515		NA	C1CN(CCC1N2C3=C(C=C(C=C3)Cl)NC2=O)CCCN4C5=CC=CC=C5NC4=O	Organoheterocyclic compounds	Benzimidazoles	null	NA
+HMDB0034529	16-Acetylpriverogenin A	HMDB0034529	612545	NA		NA	CC(=O)OC1CC2(C(=CCC3C2(CCC4C3(CCC(C4(C)C)O)C)C)C5C1(C(CC(C5)(C)C)O)C=O)C	Lipids and lipid-like molecules	Prenol lipids	Triterpenoids	NA
+HMDB0036031	Labienoxime	HMDB0036031	6432934	NA		NA	CC(C)/C(=N/O)/C(C)(C)C/C=C(\C)/C=C	Organic nitrogen compounds	Organonitrogen compounds	Oximes	NA
+HMDB0034504	Sericoside	HMDB0034504	NA	NA		NA	CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CO)C5CCC34C)C2C1O)C(=O)OC1OC(CO)C(O)C(O)C1O	Lipids and lipid-like molecules	Prenol lipids	Triterpenoids	NA
+HMDB0005360	TG(16:0/16:0/18:1(9Z))	HMDB0005360	25240460	NA	C00422	4705	CCCCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC	Lipids and lipid-like molecules	Glycerolipids	Triradylcglycerols	NA
+C01204	Myo-inositol hexakisphosphate	HMDB0003502	890	17401	C01204	6941	C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O	null	null	null	map00562 Inositol phosphate metabolism; map01100 Metabolic pathways; map04070 Phosphatidylinositol signaling system
+C07904	Phendimetrazine	HMDB0015519	12460	674499	C07904	NA	CC1C(OCCN1C)C2=CC=CC=C2	null	null	null	NULL
+C01752	Scopoletin	HMDB0034344	5280460	17488	C01752	NA	COC1=C(C=C2C(=C1)C=CC(=O)O2)O	Phenylpropanoids and polyketides	Coumarins and derivatives	Hydroxycoumarins	map00940 Phenylpropanoid biosynthesis; map01061 Biosynthesis of phenylpropanoids; map01110 Biosynthesis of secondary metabolites
+HMDB0015406	Glisoxepide	HMDB0015406	32778	NA		NA	CC1=CC(=NO1)C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)NC(=O)NN3CCCCCC3	Benzenoids	Benzene and substituted derivatives	Benzenesulfonamides	NA
+C00482	Sinapic acid	HMDB0032616	637775	15714	C00482	NA	COC1=CC(=CC(=C1O)OC)/C=C/C(=O)O	Phenylpropanoids and polyketides	Cinnamic acids and derivatives	Hydroxycinnamic acids and derivatives	map00940 Phenylpropanoid biosynthesis; map01061 Biosynthesis of phenylpropanoids; map01100 Metabolic pathways; map01110 Biosynthesis of secondary metabolites
+HMDB0033685	alpha-Tocopherol succinate	HMDB0033685	425400	22470		NA	CC1=C2C(=C(C(=C1C)OC(=O)CCC(=O)O)C)CCC(O2)(C)CCCC(C)CCCC(C)CCCC(C)C	Lipids and lipid-like molecules	Prenol lipids	Quinone and hydroquinone lipids	NA
+C05901	3,3',4'5-Tetrahydroxystilbene	HMDB0004215	667639	28814	C05901	NA	C1=CC(=C(C=C1/C=C/C2=CC(=CC(=C2)O)O)O)O	Phenylpropanoids and polyketides	Stilbenes	null	map00945 Stilbenoid, diarylheptanoid and gingerol biosynthesis; map01110 Biosynthesis of secondary metabolites
+HMDB0031870	gamma-Glutamyl-S-(1-propenyl)cysteine sulfoxide	HMDB0031870	NA	NA		NA	C\C=C\S(=O)CC(NC(=O)CCC(N)C(O)=O)C(O)=O	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	NA
+HMDB0015680	Nonoxynol-9	HMDB0015680	72385	53775		NA	CCCCCCCCCC1=CC=C(C=C1)OCCOCCOCCOCCOCCOCCOCCOCCOCCO	Organic oxygen compounds	Organooxygen compounds	Ethers	NA
+HMDB0032369	L-Menthyl acetoacetate	HMDB0032369	43045	NA		NA	C[C@H]1CC[C@@H]([C@H](C1)OC(=O)CC(=O)C)C(C)C	Lipids and lipid-like molecules	Prenol lipids	Monoterpenoids	NA
+HMDB0015252	Gliclazide	HMDB0015252	3475	31654		NA	CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NN2CC3CCCC3C2	Benzenoids	Benzene and substituted derivatives	Benzenesulfonamides	NA
+C00835	Sepiapterin	HMDB0000238	65253	804632	C00835	5244	C[C@@H](C(=O)C1=NC2=C(NC1)NC(=NC2=O)N)O	Organoheterocyclic compounds	Pteridines and derivatives	Pterins and derivatives	map00790 Folate biosynthesis; map01100 Metabolic pathways
+C08317	12-Hydroxydodecanoic acid	HMDB0002059	79034	39567	C08317	6465	C(CCCCCC(=O)O)CCCCCO	Organic acids and derivatives	Hydroxy acids and derivatives	Medium-chain hydroxy acids and derivatives	NULL
+HMDB0032181	alpha-Butyl-omega-hydroxypoly(oxyethylene) poly(oxypropylene)	HMDB0032181	24838540	NA		NA	CCCCOCCOCC(C)OCCCOC	Organooxygen compounds	Ethers	Dialkyl ethers	NA
+C00831	Pantetheine	HMDB0003426	479	16753	C00831	6928	CC(C)(CO)C(C(=O)NCCC(=O)NCCS)O	null	null	null	map00332 Carbapenem biosynthesis; map00770 Pantothenate and CoA biosynthesis; map01130 Biosynthesis of antibiotics
+HMDB0011480	LysoPE(0:0/18:4(6Z,9Z,12Z,15Z))	HMDB0011480	53480929	NA		NA	CC/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)O[C@H](CO)COP(=O)(O)OCCN	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines	NA
+HMDB0031772	1-Methoxy-1-(2,4,5-trimethoxyphenyl)-2-propanol	HMDB0031772	NA	NA		NA	COC(C(C)O)C1=CC(OC)=C(OC)C=C1OC	Benzenoids	Benzene and substituted derivatives	Phenylpropanes	NA
+HMDB0007645	DG(22:1(13Z)/24:1(15Z)/0:0)	HMDB0007645	53478405	NA		NA	CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCCCC/C=C\CCCCCCCC	Lipids and lipid-like molecules	Glycerolipids	Diradylglycerols	NA
+HMDB0033567	Cyclotetradecane	HMDB0033567	67524	16968		NA	C1CCCCCCCCCCCCC1	Hydrocarbons	Saturated hydrocarbons	Cycloalkanes	NA
+HMDB0033071	Propyl 1-(propylsulfinyl)propyl disulfide	HMDB0033071	NA	NA		NA	CCCSSC(CC)S(=O)CCC	Organosulfur compounds	Sulfoxides	null	NA
+C18218	16-Hydroxy hexadecanoic acid	HMDB0006294	7058075	55329	C18218	NA	C(CCCCCCCC(=O)[O-])CCCCCCCO	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	map00073 Cutin, suberine and wax biosynthesis; map01100 Metabolic pathways
+C00517	Palmitaldehyde	HMDB0001551	984	17600	C00517	6317	CCCCCCCCCCCCCCCC=O	Lipids and lipid-like molecules	Fatty Acyls	Fatty aldehydes	map00071 Fatty acid degradation
+HMDB0011531	MG(0:0/14:1(9Z)/0:0)	HMDB0011531	53480959	NA		NA	CCCC/C=C\CCCCCCCC(=O)OC(CO)CO	Lipids and lipid-like molecules	Glycerolipids	Monoradylglycerols	NA
+HMDB0033679	Pelargonidin 3-sophoroside	HMDB0033679	NA	NA	C16305	NA	C[C@H]1[C@H](O[C@H]2[C@H](OC3=CC4=C(C=C(O)C=C4O)[O+]=C3C3=CC=C(O)C=C3)O[C@H](CO)[C@@H](O)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O	Phenylpropanoids and polyketides	Flavonoids	Flavonoid glycosides	NA
+HMDB0001410	2-Amino-4-oxo-6-(1',2'-dioxoprolyl)-7,8-dihydroxypteridine	HMDB0001410	440598	NA	C05255	NA	CC(=O)C(=O)C1=NC2=C(NC(=NC2=O)N)N(C1O)O	Organoheterocyclic compounds	Pteridines and derivatives	Pterins and derivatives	NA
+C01601	Pelargonic acid	HMDB0000847	8158	29019	C01601	5810	CCCCCCCCC(=O)O	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	NULL
+HMDB0002250	Dodecanoylcarnitine	HMDB0002250	168381	77086		6573	CCCCCCCCCCCC(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C	Lipids and lipid-like molecules	Fatty Acyls	Fatty acid esters	NA
+C01838	Stearaldehyde	HMDB0002384	12533	17034	C01838	NA	CCCCCCCCCCCCCCCCCC=O	Lipids and lipid-like molecules	Fatty Acyls	Fatty aldehydes	NULL
+HMDB0006202	4,8 Dimethylnonanoyl carnitine	HMDB0006202	53477801	63874		NA	CC(C)CCCC(C)CCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C	Lipids and lipid-like molecules	Fatty Acyls	Fatty acid esters	NA
+C09627	Capsidiol	HMDB0002352	161937	28283	C09627	NA	C[C@@H]1[C@@H](C[C@H](C2=CC[C@H](C[C@]12C)C(=C)C)O)O	Lipids and lipid-like molecules	Prenol lipids	Sesquiterpenoids	map00909 Sesquiterpenoid and triterpenoid biosynthesis
+HMDB0002327	1,11-Undecanedicarboxylic acid	HMDB0002327	10458	73718		6622	C(CCCCCC(=O)O)CCCCCC(=O)O	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	NA
+C07180	Tripelennamine	HMDB0014930	5587	331013	C07180	NA	CN(C)CCN(CC1=CC=CC=C1)C2=CC=CC=N2	Benzenoids	Benzene and substituted derivatives	Benzylamines	NULL
+C17497	Zingerone	HMDB0032590	31211	NA	C17497	NA	CC(=O)CCC1=CC(=C(C=C1)O)OC	Benzenoids	Benzene and substituted derivatives	Phenols and derivatives	NULL
+C00329	Glucosamine	HMDB0001514	439213	5417	C00329	266	C([C@@H]1[C@H]([C@@H]([C@H](C(O1)O)N)O)O)O	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates	map00520 Amino sugar and nucleotide sugar metabolism; map01100 Metabolic pathways; map02060 Phosphotransferase system (PTS)
+HMDB0029913	Gynocardin	HMDB0029913	122812	NA	C08331	NA	C1=CC(C(C1O)O)(C#N)OC2C(C(C(C(O2)CO)O)O)O	Organooxygen compounds	Carbohydrates and carbohydrate conjugates	Glycosyl compounds	NA
+C06577	Cuminaldehyde	HMDB0002214	326	366706	C06577	NA	CC(C)C1=CC=C(C=C1)C=O	Lipids and lipid-like molecules	Prenol lipids	Monoterpenoids	map00622 Xylene degradation; map01120 Microbial metabolism in diverse environments; map01220 Degradation of aromatic compounds
+HMDB0030404	Armillaripin	HMDB0030404	21124297	NA		NA	CC1=CC(=CC(=C1C(=O)OC2CC3(C2C(=CC4(C3CC(C4)(C)C)O)C=O)C)O)OC	Lipids and lipid-like molecules	Prenol lipids	Sesquiterpenoids	NA
+C01921	Glycocholic acid	HMDB0000138	23617285	29746	C01921	5169	C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](CC4[C@@]3(CC[C@H](C4)O)C)O)O)C	null	null	null	map00120 Primary bile acid biosynthesis; map00121 Secondary bile acid biosynthesis; map01100 Metabolic pathways; map04976 Bile secretion; map04979 Cholesterol metabolism
+C00386	Carnosine	HMDB0000033	439224	15727	C00386	38	C1=C(NC=N1)C[C@@H](C(=O)O)NC(=O)CCN	Organic acids and derivatives	Peptidomimetics	Hybrid peptides	map00340 Histidine metabolism; map00410 beta-Alanine metabolism; map01100 Metabolic pathways
+HMDB0013317	Tridecanoylglycine	HMDB0013317	45357453	74437		NA	CCCCCCCCCCCCC(=O)NCC(=O)O	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	NA
+HMDB0031830	Ginsenoside Rg5	HMDB0031830	59806994	NA		NA	CC(=CC/C=C(/C)\C1CCC2(C1C(CC3C2(CCC4C3(CCC(C4(C)C)OC5C(C(C(C(O5)CO)O)O)OC6C(C(C(C(O6)CO)O)O)O)C)C)O)C)C	Lipids and lipid-like molecules	Prenol lipids	Triterpenoids	NA
+C00803	Valeric acid	HMDB0000892	7991	17418	C00803	110	CCCCC(=O)O	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	NULL
+C01571	Capric acid	HMDB0000511	2969	30813	C01571	336	CCCCCCCCCC(=O)O	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	map00061 Fatty acid biosynthesis; map01100 Metabolic pathways
+C00921	7,8-Dihydropteroic acid	HMDB0001412	170	4581	C00921	6228	C1C(=NC2=C(N1)NC(=NC2=O)N)CNC3=CC=C(C=C3)C(=O)O	Organoheterocyclic compounds	Pteridines and derivatives	Pterins and derivatives	map00790 Folate biosynthesis; map01100 Metabolic pathways
+HMDB0005798	Malabaricone C	HMDB0005798	100313	584521		NA	C1=CC(=C(C(=C1)O)C(=O)CCCCCCCCC2=CC(=C(C=C2)O)O)O	Organic oxygen compounds	Organooxygen compounds	Carbonyl compounds	NA
+C08322	Myristoleic acid	HMDB0002000	5281119	27781	C08322	6424	CCCC/C=C\CCCCCCCC(=O)O	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	NULL
+C14996	2-Dodecanone	HMDB0031019	22556	NA	C14996	NA	CCCCCCCCCCC(=O)C	null	null	null	NULL
+C10434	Dattelic acid	HMDB0033999	6124136	NA	C10434	NA	C1C(C(C(C=C1C(=O)O)O)O)OC(=O)/C=C/C2=CC(=C(C=C2)O)O	null	null	null	map00940 Phenylpropanoid biosynthesis; map00941 Flavonoid biosynthesis; map00945 Stilbenoid, diarylheptanoid and gingerol biosynthesis; map01100 Metabolic pathways; map01110 Biosynthesis of secondary metabolites
+C10166	Piplartine	HMDB0030341	637858	564921	C10166	NA	COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)N2CCC=CC2=O	Phenylpropanoids and polyketides	Cinnamic acids and derivatives	null	NULL
+C16504	Juvenile hormone III acid	METPA1788	NA	NA	C16504	NA	NA	null	null	null	map00981 Insect hormone biosynthesis
+C05028	Norethindrone	HMDB0014855	6230	7627	C05028	NA	C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=CC(=O)CC[C@H]34	Lipids and lipid-like molecules	Steroids and steroid derivatives	Estrane steroids	NULL
+C07366	Prazepam	HMDB0015527	4890	195969	C07366	NA	C1CC1CN2C(=O)CN=C(C3=C2C=CC(=C3)Cl)C4=CC=CC=C4	Organoheterocyclic compounds	Benzodiazepines	1,4-benzodiazepines	NULL
+C07425	Pergolide	HMDB0015317	47811	63617	C07425	NA	CCCN1C[C@@H](C[C@H]2[C@H]1CC3=CNC4=CC=CC2=C34)CSC	Organoheterocyclic compounds	Quinolines and derivatives	Indoloquinolines	NULL
+HMDB0014563	Miglustat	HMDB0014563	51634	50381		NA	CCCCN1C[C@@H]([C@H]([C@@H]([C@H]1CO)O)O)O	Organoheterocyclic compounds	Piperidines	null	NA
+C16300	Stearidonic acid	HMDB0006547	5312508	32389	C16300	NA	CC/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)O	Lipids and lipid-like molecules	Fatty Acyls	Lineolic acids and derivatives	map00592 alpha-Linolenic acid metabolism; map01110 Biosynthesis of secondary metabolites
+C07195	Vidarabine	HMDB0014340	21704	45327	C07195	NA	C1=NC2=C(C(=N1)N)N=CN2[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)O	null	null	null	NULL
+C01479	Phenyllactic acid	HMDB0000779	3848	25998	C01479	5745	C1=CC=C(C=C1)CC(C(=O)O)O	Alkaloids and derivatives	Tropane alkaloids	null	map00960 Tropane, piperidine and pyridine alkaloid biosynthesis; map01110 Biosynthesis of secondary metabolites
+HMDB0033601	Dihydrojasmonic acid	HMDB0033601	107126	NA		NA	CCCCCC1C(CCC1=O)CC(=O)O	Lipids and lipid-like molecules	Lineolic acids and derivatives	Jasmonic acids	NA
+C02078	Spectinomycin	HMDB0015055	15541	NA	C02078	NA	C[C@@H]1CC(=O)[C@]2([C@@H](O1)O[C@@H]3[C@H]([C@@H]([C@@H]([C@@H]([C@H]3O2)NC)O)NC)O)O	Organoheterocyclic compounds	Dioxanes	1,4-dioxanes	map01130 Biosynthesis of antibiotics
+C01484	Chalcone	HMDB0003066	637760	48965	C01484	3342	C1=CC=C(C=C1)/C=C/C(=O)C2=CC=CC=C2	null	null	null	NULL
+C04332	6,7-Dimethyl-8-(1-D-ribityl)lumazine	HMDB0003826	672	17601	C04332	NA	CC1=C(N(C2=NC(=O)NC(=O)C2=N1)CC(C(C(CO)O)O)O)C	null	null	null	map00740 Riboflavin metabolism; map01100 Metabolic pathways; map01110 Biosynthesis of secondary metabolites
+HMDB0011530	MG(0:0/14:0/0:0)	HMDB0011530	137938	NA		NA	CCCCCCCCCCCCCC(=O)OC(CO)CO	Lipids and lipid-like molecules	Glycerolipids	Monoradylglycerols	NA
+HMDB0030148	Prehumulinic acid	HMDB0030148	NA	NA		NA	CC(C)CCC(=O)C1=C(O)C(O)C(CC=C(C)C)C1=O	Organic acids and derivatives	Vinylogous acids	null	NA
+C00642	p-Hydroxyphenylacetic acid	HMDB0000020	127	18101	C00642	130	C1=CC(=CC=C1CC(=O)O)O	Benzenoids	Phenols	1-hydroxy-2-unsubstituted benzenoids	map00350 Tyrosine metabolism; map00360 Phenylalanine metabolism; map01120 Microbial metabolism in diverse environments; map01220 Degradation of aromatic compounds
+HMDB0013219	Behenoylglycine	HMDB0013219	21445006	87764		NA	CCCCCCCCCCCCCCCCCCCCCC(=O)NCC(=O)O	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	NA
+HMDB0029863	(3beta,22E)-26,27-Dinorergosta-5,22-dien-3-ol	HMDB0029863	NA	NA		NA	CC(C)\C=C/C(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C	Lipids and lipid-like molecules	Steroids and steroid derivatives	Hydroxysteroids	NA
+C01389	Phytol	HMDB0002019	5280435	17327	C01389	391	C[C@@H](CCC[C@@H](C)CCC/C(=C/CO)/C)CCCC(C)C	Lipids and lipid-like molecules	Prenol lipids	Diterpenoids	NULL
+HMDB0029586	Octadecylamine	HMDB0029586	15793	63866		NA	CCCCCCCCCCCCCCCCCCN	Organonitrogen compounds	Amines	Primary amines	NA
+C01893	Biotin amide	HMDB0001458	439597	16615	C01893	6255	C1[C@@H]2[C@H]([C@H](S1)CCCCC(=O)N)NC(=O)N2	null	null	null	NULL
+C07381	Propafenone	HMDB0015313	4932	63619	C07381	NA	CCCNCC(COC1=CC=CC=C1C(=O)CCC2=CC=CC=C2)O	Phenylpropanoids and polyketides	Linear 1,3-diarylpropanoids	null	NULL
+C04742	15(S)-HETE	HMDB0003876	5280724	15558	C04742	NA	CCCCC[C@@H](/C=C/C=C\C/C=C\C/C=C\CCCC(=O)O)O	Lipids and lipid-like molecules	Fatty Acyls	Eicosanoids	map00590 Arachidonic acid metabolism; map04750 Inflammatory mediator regulation of TRP channels
+HMDB0031047	Avocadyne 2-acetate	HMDB0031047	NA	NA		NA	CC(=O)OC(CO)CC(O)CCCCCCCCCCCC#C	Lipids and lipid-like molecules	Fatty Acyls	Fatty alcohols	NA
+C07119	Medroxyprogesterone	HMDB0001939	10631	6715	C07119	1094	C[C@H]1C[C@@H]2[C@H](CC[C@]3([C@H]2CC[C@@]3(C(=O)C)O)C)[C@@]4(C1=CC(=O)CC4)C	Lipids and lipid-like molecules	Steroids and steroid derivatives	Pregnane steroids	NULL
+C03539	S-Ribosyl-L-homocysteine	METPA0405	NA	NA	C03539	NA	NA	null	null	null	map00270 Cysteine and methionine metabolism; map01100 Metabolic pathways; map01230 Biosynthesis of amino acids
+HMDB0014370	Gadodiamide	HMDB0014370	60754	31642	C13106	NA	CNC(=O)CN(CCN(CCN(CC(=O)NC)CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].O.[Gd+3]	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	NA
+HMDB0029903	3,5-Dicaffeoyl-4-succinoylquinic acid	HMDB0029903	10603854	NA		NA	C1C(CC(C(C1OC(=O)/C=C/C2=CC(=C(C=C2)O)O)OC(=O)CCC(=O)O)OC(=O)/C=C/C3=CC(=C(C=C3)O)O)(O)C(=O)O	Organic acids and derivatives	Carboxylic acids and derivatives	Pentacarboxylic acids and derivatives	NA
+HMDB0012082	LysoSM(d18:0)	HMDB0012082	44260122	132478		NA	CCCCCCCCCCCCCCC[C@H]([C@H](COP(=O)([O-])OCC[N+](C)(C)C)N)O	Lipids and lipid-like molecules	Sphingolipids	Phosphosphingolipids	NA
+HMDB0029346	Neryl glucoside	HMDB0029346	NA	NA		NA	CC(C)=CCC\C(C)=C/COC1OC(CO)C(O)C(O)C1O	Lipids and lipid-like molecules	Prenol lipids	Terpene glycosides	NA
+HMDB0014008	Hydroxylansoprazole	HMDB0014008	9800271	NA		NA	CC1=C(C=CN=C1CS(=O)C2=NC3=C(N2)C=C(C=C3)O)OCC(F)(F)F	Organoheterocyclic compounds	Benzimidazoles	Sulfinylbenzimidazoles	NA
+HMDB0029542	Clusin	HMDB0029542	44575537	582747		NA	COC1=CC(=CC(=C1OC)OC)CC2C(COC2O)CC3=CC4=C(C=C3)OCO4	Lignans, neolignans and related compounds	Furanoid lignans	Tetrahydrofuran lignans	NA
+C16537	Pentadecanoic acid	HMDB0000826	13849	NA	C16537	5789	CCCCCCCCCCCCCCC(=O)O	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	NULL
+HMDB0010383	LysoPC(16:1(9Z))	HMDB0010383	24779461	NA	C04230	NA	CCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)O	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphocholines	NA
+HMDB0035877	(Z)-13-Hexadecenoic acid	HMDB0035877	5312416	NA		NA	CC/C=C\CCCCCCCCCCCC(=O)O	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	NA
+HMDB0011487	LysoPE(0:0/20:4(5Z,8Z,11Z,14Z))	HMDB0011487	53480936	72741		NA	CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[C@H](CO)COP(=O)(O)OCCN	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines	NA
+C13856	2-Arachidonylglycerol	HMDB0004666	5282280	52392	C13856	NA	CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC(CO)CO	Lipids and lipid-like molecules	Endocannabinoids	null	map04080 Neuroactive ligand-receptor interaction; map04714 Thermogenesis; map04723 Retrograde endocannabinoid signaling
+HMDB0012496	1-Lyso-2-arachidonoyl-phosphatidate	HMDB0012496	53481443	78209		NA	CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[C@H](CO)COP(=O)([O-])[O-]	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphates	NA
+HMDB0032740	N-Hexadecanoylpyrrolidine	HMDB0032740	247220	NA		NA	CCCCCCCCCCCCCCCC(=O)N1CCCC1	Organoheterocyclic compounds	Pyrrolidines	N-acylpyrrolidines	NA
+C04453	4-alpha-Methyl-5-alpha-cholest-7-en-3-one	HMDB0011606	440345	16495	C04453	NA	C[C@H]1[C@@H]2CC=C3[C@@H]4CC[C@@H]([C@]4(CC[C@@H]3[C@]2(CCC1=O)C)C)[C@H](C)CCCC(C)C	Lipids and lipid-like molecules	Steroids and steroid derivatives	Cholestane steroids	NULL
+C01767	(R)-Carvone	HMDB0035089	439570	15400	C01767	NA	CC1=CC[C@H](CC1=O)C(=C)C	Lipids and lipid-like molecules	Prenol lipids	Monoterpenoids	map00902 Monoterpenoid biosynthesis; map00903 Limonene and pinene degradation; map01110 Biosynthesis of secondary metabolites
+C08261	Azelaic acid	HMDB0000784	2266	48131	C08261	5750	C(CCCC(=O)O)CCCC(=O)O	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	NULL
+HMDB0034430	6-Deoxohomodolichosterone	HMDB0034430	NA	NA		NA	C\C=C(/C(C)C)C(O)C(O)C(C)C1CCC2C3CCC4CC(O)C(O)CC4(C)C3CCC12C	Lipids and lipid-like molecules	Steroids and steroid derivatives	Stigmastanes and derivatives	NA
+HMDB0034352	Morellinol	HMDB0034352	NA	NA		NA	CC(C)=CCC1=C2OC34C5CC(C=C3C(=O)C2=C(O)C2=C1OC(C)(C)C=C2)C(=O)C4(C\C=C(\C)CO)OC5(C)C	Organoheterocyclic compounds	Benzopyrans	1-benzopyrans	NA
+C08283	(S)-Homostachydrine	HMDB0033433	441447	NA	C08283	NA	C[N+]1(CCCC[C@H]1C(=O)[O-])C	null	null	null	NULL
+C01408	Benzoin	HMDB0032039	8400	17682	C01408	NA	C1=CC=C(C=C1)C(C(=O)C2=CC=CC=C2)O	Phenylpropanoids and polyketides	Stilbenes	Benzoins	NULL
+C08320	Tetracosanoic acid	HMDB0002003	11197	28866	C08320	6427	CCCCCCCCCCCCCCCCCCCCCCCC(=O)O	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	map01040 Biosynthesis of unsaturated fatty acids
+HMDB0010381	LysoPC(15:0)	HMDB0010381	24779458	580912	C04230	NA	CCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)O	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphocholines	NA
+HMDB0007527	DG(20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)	HMDB0007527	9543946	NA		NA	CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@H](CO)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC	Lipids and lipid-like molecules	Glycerolipids	Diradylglycerols	NA
+C06838	Azythromycin	HMDB0001916	53477736	NA	C06838	NA	CC[C@H]1[C@@]([C@@H]([C@@H](N(C[C@H](C[C@]([C@H]([C@@H]([C@@H]([C@H](C(=O)O1)C)O[C@@H]2C[C@]([C@@H]([C@H](O2)C)O)(C)OC)C)O[C@@H]3[C@H]([C@@H](C[C@@H](O3)C)N(C)C)O)(C)O)C)C)C)O)(C)O	null	null	null	NULL
+C07143	Mesoridazine	HMDB0015068	4078	6780	C07143	NA	CN1CCCCC1CCN2C3=CC=CC=C3SC4=C2C=C(C=C4)S(=O)C	Organoheterocyclic compounds	Benzothiazines	Phenothiazines	NULL
+C00399	Ubiquinone-1	HMDB0002012	4462	16389	C00399	6435	CC1=C(C(=O)C(=C(C1=O)OC)OC)CC=C(C)C	Lipids and lipid-like molecules	Prenol lipids	Quinone and hydroquinone lipids	map00130 Ubiquinone and other terpenoid-quinone biosynthesis; map00190 Oxidative phosphorylation; map01100 Metabolic pathways; map01110 Biosynthesis of secondary metabolites; map02020 Two-component system
+C00353	Geranylgeranyl-PP	HMDB0004486	447277	48861	C00353	NA	CC(=CCC/C(=C/CC/C(=C/CC/C(=C/COP(=O)(O)OP(=O)(O)O)/C)/C)/C)C	Lipids and lipid-like molecules	Prenol lipids	Diterpenoids	map00130 Ubiquinone and other terpenoid-quinone biosynthesis; map00403 Indole diterpene alkaloid biosynthesis; map00900 Terpenoid backbone biosynthesis; map00904 Diterpenoid biosynthesis; map00906 Carotenoid biosynthesis; map00999 Biosynthesis of secondary metabolites - unclassified; map01060 Biosynthesis of plant secondary metabolites; map01062 Biosynthesis of terpenoids and steroids; map01066 Biosynthesis of alkaloids derived from terpenoid and polyketide; map01070 Biosynthesis of plant hormones; map01100 Metabolic pathways; map01110 Biosynthesis of secondary metabolites; map01130 Biosynthesis of antibiotics
+HMDB0029887	Sorbitan palmitate	HMDB0029887	4122814	NA		NA	CCCCCCCCCCCCCCCC(=O)OCC(C1C(C(CO1)O)O)O	Lipids and lipid-like molecules	Fatty Acyls	Fatty acid esters	NA
+HMDB0011473	LysoPE(0:0/16:0)	HMDB0011473	53480922	131743		NA	CCCCCCCCCCCCCCCC(=O)O[C@H](CO)COP(=O)(O)OCCN	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines	NA
+HMDB0028798	Glutaminylhydroxyproline	HMDB0028798	NA	NA		NA	NC(CCC(N)=O)C(=O)N1CC(O)CC1C(O)=O	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	NA
+HMDB0005776	Kentsin	HMDB0005776	171541	NA		NA	C[C@H]([C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)O)N)O	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	NA
+C08308	Hordatine B	HMDB0030459	NA	NA	C08308	NA	COC1=C2OC(C(C(=O)NCCCCNC(N)=N)C2=CC(\C=C/C(=O)NCCCCNC(N)=N)=C1)C1=CC=C(O)C=C1	null	null	null	NULL
+HMDB0002361	Pentacosanoic acid	HMDB0002361	10468	39420		4209	CCCCCCCCCCCCCCCCCCCCCCCCC(=O)O	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	NA
+HMDB0013208	9-Hexadecenoylcholine	HMDB0013208	22155839	NA		NA	CCCCCC/C=C/CCCCCCCC(=O)OCC[N+](C)(C)C	Organic nitrogen compounds	Organonitrogen compounds	Quaternary ammonium salts	NA
+HMDB0032247	(Z)-4-Dodecenal	HMDB0032247	10976419	NA		NA	CCCCCCCC/C=C/CCC=O	Lipids and lipid-like molecules	Fatty Acyls	Fatty aldehydes	NA
+C09690	alpha-Irone	HMDB0035631	5371002	10284	C09690	NA	CC1CC=C(C(C1(C)C)/C=C/C(=O)C)C	null	null	null	NULL
+C12100	Cyclohexaneundecanoic acid	HMDB0030997	192796	NA	C12100	NA	C1CCC(CC1)CCCCCCCCCCC(=O)O	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	NULL
+C02993	Kyotorphin	HMDB0005768	123804	17537	C02993	NA	C1=CC(=CC=C1C[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)N)O	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	NULL
+C06963	Dipivefrin	HMDB0014592	3105	4646	C06963	NA	CC(C)(C)C(=O)OC1=C(C=C(C=C1)C(CNC)O)OC(=O)C(C)(C)C	Benzenoids	Phenol esters	null	NULL
+HMDB0007730	DG(22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)	HMDB0007730	53478483	NA		NA	CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC[C@H](CO)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC	Lipids and lipid-like molecules	Glycerolipids	Diradylglycerols	NA
+HMDB0010581	PG(16:0/22:4(7Z,10Z,13Z,16Z))	HMDB0010581	52927231	NA		NA	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@H](CO)O)OC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoglycerols	NA
+C07225	Minocycline	HMDB0015152	NA	50694	C07225	NA	[H][C@@]12CC3=C(C(O)=CC=C3N(C)C)C(=O)C1=C(O)[C@]1(O)C(=O)C(C(N)=O)=C(O)[C@@H](N(C)C)[C@]1([H])C2	Phenylpropanoids and polyketides	Tetracyclines	null	NULL
+C00280	Androstenedione	HMDB0000053	6128	16422	C00280	2795	C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C	Lipids and lipid-like molecules	Steroids and steroid derivatives	Androstane steroids	map00140 Steroid hormone biosynthesis; map00984 Steroid degradation; map01100 Metabolic pathways; map01120 Microbial metabolism in diverse environments; map01522 Endocrine resistance; map04913 Ovarian steroidogenesis; map04917 Prolactin signaling pathway; map05200 Pathways in cancer; map05215 Prostate cancer
+HMDB0014924	Marimastat	HMDB0014924	119031	50662		NA	CC(C)C[C@H]([C@@H](C(=O)NO)O)C(=O)N[C@H](C(=O)NC)C(C)(C)C	Organic oxygen compounds	Organooxygen compounds	Alcohols and polyols	NA
+HMDB0002277	2,3-Dinor-6-keto-prostaglandin F1 a	HMDB0002277	53477747	NA		NA	CCCCC[C@@H](/C=C/[C@H]1[C@H](C[C@@H]([C@@H]1CC(=O)CCC(=O)O)O)O)O	Lipids and lipid-like molecules	Fatty Acyls	Eicosanoids	NA
+HMDB0035212	Sonchuionoside C	HMDB0035212	NA	NA		NA	CC(=O)\C=C\C1=C(C)C(O)C(CC1(C)C)OC1OC(CO)C(O)C(O)C1O	Lipids and lipid-like molecules	Prenol lipids	Terpene glycosides	NA
+HMDB0033985	Mulberrofuran S	HMDB0033985	NA	NA		NA	CC12OC3=C(C=CC(O)=C3)C(C1O)C1=C(OC3=C(C(O)=CC(=C3)C3=CC4=C(O3)C=C(O)C=C4)C1=C2)C1=C(O)C=C(O)C=C1	Phenylpropanoids and polyketides	2-arylbenzofuran flavonoids	null	NA
+C02325	Sinapyl alcohol	HMDB0013070	5280507	64557	C02325	NA	COC1=CC(=CC(=C1O)OC)/C=C/CO	Benzenoids	Phenols	Methoxyphenols	map00940 Phenylpropanoid biosynthesis; map01061 Biosynthesis of phenylpropanoids; map01100 Metabolic pathways; map01110 Biosynthesis of secondary metabolites
+C00843	(-)-Menthone	HMDB0035162	26447	15410	C00843	NA	C[C@@H]1CC[C@H](C(=O)C1)C(C)C	Lipids and lipid-like molecules	Prenol lipids	Monoterpenoids	map00902 Monoterpenoid biosynthesis; map01110 Biosynthesis of secondary metabolites
+HMDB0035679	1-Hydroxy-1-phenyl-3-octadecanone	HMDB0035679	NA	NA		NA	CCCCCCCCCCCCCCCC(=O)CC(O)C1=CC=CC=C1	Lipids and lipid-like molecules	Fatty Acyls	Fatty alcohols	NA
+HMDB0012108	LysoPC(17:0)	HMDB0012108	24779463	580913	C04230	NA	CCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)O	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphocholines	NA
+HMDB0008851	PE(14:0/P-18:0)	HMDB0008851	53479560	NA	C00350	NA	CCCCCCCCCCCCCCCC/C=C\O[C@H](COC(=O)CCCCCCCCCCCCC)COP(=O)(O)OCCN	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines	NA
+HMDB0010392	LysoPC(20:2(11Z,14Z))	HMDB0010392	52924053	NA	C04230	NA	CCCCC/C=C\C/C=C\CCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)O	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphocholines	NA
+HMDB0029341	Ceanothine D	HMDB0029341	NA	NA		NA	CCC(C)C1OC2=CC=C(C=C2)\C=C/NC(=O)C(CC(C)C)NC(=O)C1NC(=O)C1CCCN1C	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	NA
+HMDB0032525	Tetradec-2-enal	HMDB0032525	5283366	NA		NA	CCCCCCCCCCC/C=C/C=O	Lipids and lipid-like molecules	Fatty Acyls	Fatty aldehydes	NA
+HMDB0035279	8-Methyl-3-hentriacontene	HMDB0035279	NA	NA		NA	CCCCCCCCCCCCCCCCCCCCCCCC(C)CCC\C=C\CC	Hydrocarbons	Unsaturated hydrocarbons	Unsaturated aliphatic hydrocarbons	NA
+HMDB0003603	CE(10:0)	HMDB0003603	4225619	NA	C02530	NA	CCCCCCCCCC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CCC4C(C)CCCC(C)C)C)C	Lipids and lipid-like molecules	Steroids and steroid derivatives	Steroid esters	NA
+HMDB0007079	DG(15:0/20:1(11Z)/0:0)	HMDB0007079	53478008	NA		NA	CCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCC/C=C\CCCCCCCC	Lipids and lipid-like molecules	Glycerolipids	Diradylglycerols	NA
+C00319	Sphingosine	HMDB0000252	5353955	16393	C00319	392	CCCCCCCCCCCCC/C=C/C(C(CO)N)O	null	null	null	map00600 Sphingolipid metabolism; map01100 Metabolic pathways; map04071 Sphingolipid signaling pathway; map04210 Apoptosis; map04217 Necroptosis
+HMDB0031964	(3b,6b,8b,12a)-8,12-Epoxy-7(11)-eremophilene-6-angeloyloxy-8,12-dimethoxy-3-ol	HMDB0031964	NA	NA		NA	COC1OC2(CC3CCC(O)C(C)C3(C)C(OC(=O)C(\C)=C\C)C2=C1C)OC	Organoheterocyclic compounds	Naphthofurans	null	NA
+C15802	6-Deoxocastasterone	HMDB0033984	13870433	20712	C15802	NA	C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(C[C@H]([C@H](C4)O)O)C)C)[C@H]([C@@H]([C@@H](C)C(C)C)O)O	null	null	null	map00905 Brassinosteroid biosynthesis; map01100 Metabolic pathways; map01110 Biosynthesis of secondary metabolites
+HMDB0011760	Cer(d18:0/16:0)	HMDB0011760	5283572	67042		NA	CCCCCCCCCCCCCCC[C@H]([C@H](CO)NC(=O)CCCCCCCCCCCCCCC)O	Lipids and lipid-like molecules	Sphingolipids	Ceramides	NA
+HMDB0007860	PA(16:0/18:2(9Z,12Z))	HMDB0007860	9547167	NA	C00416	NA	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphates	NA
+HMDB0029888	Sorbitan stearate	HMDB0029888	3793749	NA		NA	CCCCCCCCCCCCCCCCCC(=O)OCC(C1C(C(CO1)O)O)O	Lipids and lipid-like molecules	Fatty Acyls	Fatty acid esters	NA
+HMDB0033467	Dicaffeoylputrescine	HMDB0033467	11538839	NA		NA	C1=CC(=C(C=C1/C=C/C(=O)NCCCCNC(=O)/C=C/C2=CC(=C(C=C2)O)O)O)O	Phenylpropanoids and polyketides	Cinnamic acids and derivatives	Hydroxycinnamic acids and derivatives	NA
+C15658	6-(alpha-D-Glucosaminyl)-1D-myo-inositol	HMDB0011668	NA	44230	C15658	NA	N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)[C@H]1O	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates	NULL
+C05552	Biocytin	HMDB0003134	83814	27870	C05552	NA	C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCCC[C@@H](C(=O)O)N)NC(=O)N2	null	null	null	map00780 Biotin metabolism; map01100 Metabolic pathways; map04977 Vitamin digestion and absorption
+HMDB0034091	Ponasteroside A	HMDB0034091	631338	NA		NA	CC(C)CCC(C(C)(C1CCC2(C1(CCC3C2=CC(=O)C4C3(CC(C(C4)OC5C(C(C(C(O5)CO)O)O)O)O)C)C)O)O)O	Lipids and lipid-like molecules	Steroids and steroid derivatives	Steroidal glycosides	NA
+HMDB0029797	(Z)-15-Oxo-11-eicosenoic acid	HMDB0029797	NA	NA		NA	CCCCCC(=O)CC\C=C\CCCCCCCCCC(O)=O	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	NA
+C01301	3a,7a,12a-Trihydroxy-5b-cholestan-26-al	HMDB0003533	439479	16466	C01301	NA	C[C@H](CCCC(C)C=O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C	Lipids and lipid-like molecules	Steroids and steroid derivatives	Bile acids, alcohols and derivatives	map00120 Primary bile acid biosynthesis; map01100 Metabolic pathways
+HMDB0010391	LysoPC(20:1(11Z))	HMDB0010391	52924051	NA	C04230	NA	CCCCCCCC/C=C\CCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)O	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphocholines	NA
+HMDB0031111	5,10-Pentadecadien-1-ol	HMDB0031111	6536885	NA		NA	CCCC/C=C/CCC/C=C/CCCCO	Lipids and lipid-like molecules	Fatty Acyls	Fatty alcohols	NA
+HMDB0000560	5,8-Tetradecadienoic acid	HMDB0000560	5312409	70719		5544	CCCCC/C=C\C/C=C\CCCC(=O)O	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	NA
+C00599	Cholestenone	HMDB0000921	91477	16175	C00599	3898	C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C	Lipids and lipid-like molecules	Steroids and steroid derivatives	Cholestane steroids	map00984 Steroid degradation; map01120 Microbial metabolism in diverse environments
+C10544	8-Acetoxypinoresinol	HMDB0033280	4485133	NA	C10544	NA	CC(=O)OC12COC(C1COC2C3=CC(=C(C=C3)O)OC)C4=CC(=C(C=C4)O)OC	null	null	null	NULL
+C02010	Blasticidin S	HMDB0030452	258	1145895	C02010	NA	CN(CCC(CC(=O)NC1C=CC(OC1C(=O)O)N2C=CC(=NC2=O)N)N)C(=N)N	null	null	null	NULL
+HMDB0002157	27-Norcholestanehexol	HMDB0002157	196302	NA		NA	C[C@H](CCC(C(CO)O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C	Lipids and lipid-like molecules	Steroids and steroid derivatives	Bile acids, alcohols and derivatives	NA
+C01588	Ibuprofen	HMDB0001925	3672	5855	C01588	572	CC(C)CC1=CC=C(C=C1)C(C)C(=O)O	Phenylpropanoids and polyketides	Phenylpropanoic acids	null	NULL
+C07023	Granisetron	HMDB0015026	3510	154547	C07023	NA	CN1C2CCCC1CC(C2)NC(=O)C3=NN(C4=CC=CC=C43)C	null	null	null	NULL
+HMDB0012146	2-Hexaprenyl-3-methyl-5-hydroxy-6-methoxy-1,4-benzoquinol	HMDB0012146	53481381	NA		NA	CC1=C(C(=C(C(=C1O)O)OC)O)C/C=C(/C)\CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(/C)\CCC=C(C)C	Lipids and lipid-like molecules	Prenol lipids	Polyprenylphenols	NA
+HMDB0013286	N-Undecanoylglycine	HMDB0013286	454092	74438		NA	CCCCCCCCCCC(=O)NCC(=O)O	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	NA
+C07202	Metoprolol	HMDB0001932	4171	6904	C07202	1250	CC(C)NCC(COC1=CC=C(C=C1)CCOC)O	Benzenoids	Phenols	Tyrosols and derivatives	NULL
+HMDB0034510	Erythrodiol 3-decanoate	HMDB0034510	NA	NA		NA	CCCCCCCCCC(=O)OC1CCC2(C)C(CCC3(C)C2CC=C2C4CC(C)(C)CCC4(CO)CCC32C)C1(C)C	Lipids and lipid-like molecules	Prenol lipids	Triterpenoids	NA
+C13846	Octadecanamide	HMDB0034146	31292	34900	C13846	NA	CCCCCCCCCCCCCCCCCC(=O)N	Lipids and lipid-like molecules	Fatty Acyls	Fatty amides	NULL
+HMDB0011149	LysoPC(O-18:0)	HMDB0011149	2733532	560225	C04317	NA	CCCCCCCCCCCCCCCCCCOC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)O	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphocholines	NA
+C16182	beta-2,3,5,6-Tetrachloro-1,4-cyclohexanediol	MA3TEM051	47205491	NA	C16182	NA	CC(C(=O)NC1=NC2=CC=CC=C2S1)N3C=CN=C3	null	null	null	map00361 Chlorocyclohexane and chlorobenzene degradation; map01120 Microbial metabolism in diverse environments
+C01251	Homocitric acid	HMDB0003518	439459	52222	C01251	6943	C(C[C@@](CC(=O)O)(C(=O)O)O)C(=O)O	Organic acids and derivatives	Carboxylic acids and derivatives	Tricarboxylic acids and derivatives	map00300 Lysine biosynthesis; map00620 Pyruvate metabolism; map01100 Metabolic pathways; map01120 Microbial metabolism in diverse environments; map01130 Biosynthesis of antibiotics; map01210 2-Oxocarboxylic acid metabolism; map01230 Biosynthesis of amino acids
+C11536	(2R)-Phosphosulfolactate	MA3TEM067	13703	NA	C11536	NA	CC1=NC(=NC(=N1)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl	null	null	null	map00680 Methane metabolism; map01120 Microbial metabolism in diverse environments
+HMDB0032787	Kaempferol 3-(2'''-caffeoylsophoroside) 7-cellobioside	HMDB0032787	NA	NA		NA	OCC1OC(OC2C(CO)OC(OC3=CC(O)=C4C(OC(C5=CC=C(O)C=C5)=C(OC5OC(CO)C(O)C(O)C5OC5OC(CO)C(O)C(O)C5OC(=O)\C=C\C5=CC(O)=C(O)C=C5)C4=O)=C3)C(O)C2O)C(O)C(O)C1O	Phenylpropanoids and polyketides	Flavonoids	Flavonoid glycosides	NA
+HMDB0032789	Kaempferol 3-(2'''-sinapoylsophoroside) 7-cellobioside	HMDB0032789	NA	NA		NA	COC1=CC(\C=C\C(=O)OC2C(OC3C(OC4=C(OC5=CC(OC6OC(CO)C(OC7OC(CO)C(O)C(O)C7O)C(O)C6O)=CC(O)=C5C4=O)C4=CC=C(O)C=C4)OC(CO)C(O)C3O)OC(CO)C(O)C2O)=CC(OC)=C1O	Phenylpropanoids and polyketides	Flavonoids	Flavonoid glycosides	NA
+HMDB0030879	Methyl methylthio selenide	HMDB0030879	12916333	NA		NA	CS[Se]C	Organosulfur compounds	Thioselenides	null	NA
+HMDB0005389	TG(16:0/18:2(9Z,12Z)/20:1(11Z))	HMDB0005389	9544231	NA	C00422	NA	CCCCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCC/C=C\CCCCCCCC)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC	Lipids and lipid-like molecules	Glycerolipids	Triradylcglycerols	NA
+HMDB0008553	PC(22:0/24:1(15Z))	HMDB0008553	24779122	NA	C00157	NA	CCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphocholines	NA
+HMDB0008289	PC(20:0/24:0)	HMDB0008289	53478885	NA	C00157	NA	CCCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphocholines	NA
+HMDB0008816	PC(24:1(15Z)/24:1(15Z))	HMDB0008816	6452499	NA	C00157	NA	CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphocholines	NA
+C02041	Eicosanoyl-CoA	HMDB0004258	16061151	15527	C02041	NA	CCCCCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@@H](C([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)O	null	null	null	map01040 Biosynthesis of unsaturated fatty acids; map01212 Fatty acid metabolism
+HMDB0031110	Glycerol tritridecanoate	HMDB0031110	117811	NA		NA	CCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCC)OC(=O)CCCCCCCCCCCC	Lipids and lipid-like molecules	Glycerolipids	Triradylcglycerols	NA
+HMDB0007996	PC(16:0/P-18:1(11Z))	HMDB0007996	53478675	NA	C00157	NA	CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)O/C=C\CCCCCCCC/C=C\CCCCCC	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphocholines	NA
+HMDB0011300	PC(P-18:1(11Z)/P-18:1(11Z))	HMDB0011300	NA	NA		NA	[H][C@@](CO\C=C/CCCCCCCC\C=C/CCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)O\C=C/CCCCCCCC\C=C/CCCCCC	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphocholines	NA
+HMDB0007947	PC(15:0/20:3(5Z,8Z,11Z))	HMDB0007947	53478647	NA	C00157	NA	CCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphocholines	NA
+HMDB0009639	PE(22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	HMDB0009639	53479935	NA	C00350	NA	CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines	NA
+HMDB0008182	PC(18:3(6Z,9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z))	HMDB0008182	52922807	NA	C00157	NA	CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphocholines	NA
+C06573	Amphotericin B	HMDB0014819	5280965	2682	C06573	NA	C[C@H]1/C=C/C=C/C=C/C=C/C=C/C=C/C=C/[C@@H](C[C@H]2[C@@H]([C@H](C[C@](O2)(C[C@H](C[C@H]([C@@H](CC[C@H](C[C@H](CC(=O)O[C@H]([C@@H]([C@@H]1O)C)C)O)O)O)O)O)O)O)C(=O)O)O[C@H]3[C@H]([C@H]([C@@H]([C@H](O3)C)O)N)O	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates	map01052 Type I polyketide structures
+C02593	Tetradecanoyl-CoA	HMDB0001521	65113	15532	C02593	3707	CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)O	null	null	null	map00062 Fatty acid elongation; map00071 Fatty acid degradation; map01100 Metabolic pathways; map01212 Fatty acid metabolism
+HMDB0032677	Soyacerebroside I	HMDB0032677	NA	NA		NA	CCCCCCCCCCCCCCC(O)C(=O)NC(COC1OC(CO)C(O)C(O)C1O)C(O)\C=C/CC\C=C/CCCCCCCCC	Lipids and lipid-like molecules	Sphingolipids	Glycosphingolipids	NA
+HMDB0007897	PC(14:0/P-18:1(11Z))	HMDB0007897	53478619	NA	C00157	NA	CCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)O/C=C\CCCCCCCC/C=C\CCCCCC	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphocholines	NA
+HMDB0008913	PE(15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	HMDB0008913	52924176	NA	C00350	NA	CCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines	NA
+HMDB0014481	Pimecrolimus	HMDB0014481	17753757	NA		NA	CC[C@@H]1/C=C(\C[C@@H](C[C@@H]([C@@H]2[C@H](C[C@H]([C@@](O2)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@@H]([C@H]([C@H](CC1=O)O)C)/C(=C/[C@@H]4CC[C@@H]([C@@H](C4)OC)Cl)/C)O)C)OC)OC)C)/C	Phenylpropanoids and polyketides	Macrolide lactams	null	NA
+HMDB0011764	Cer(d18:0/20:0)	HMDB0011764	5283574	67027		NA	CCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@@H](CCCCCCCCCCCCCCC)O	Lipids and lipid-like molecules	Sphingolipids	Ceramides	NA
+HMDB0009215	PE(18:4(6Z,9Z,12Z,15Z)/P-18:1(11Z))	HMDB0009215	53479707	NA	C00350	NA	CCCCCC/C=C\CCCCCCCC/C=C\O[C@H](COC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)COP(=O)(O)OCCN	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines	NA
+HMDB0008847	PE(14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	HMDB0008847	52924936	NA	C00350	NA	CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines	NA
+C05261	3-Oxotetradecanoyl-CoA	HMDB0003935	11966197	28726	C05261	NA	CCCCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)O	Lipids and lipid-like molecules	Fatty Acyls	Fatty acyl thioesters	map00062 Fatty acid elongation; map00071 Fatty acid degradation; map01100 Metabolic pathways; map01212 Fatty acid metabolism
+C05272	(2E)-Hexadecenoyl-CoA	HMDB0003945	46173176	61526	C05272	NA	CCCCCCCCCCCCC/C=C/C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)([O-])[O-])O	null	null	null	map00062 Fatty acid elongation; map00071 Fatty acid degradation; map01100 Metabolic pathways; map01212 Fatty acid metabolism
+C00064	L-Glutamine	HMDB0000641	5961	18050	C00064	5614	C(CC(=O)N)[C@@H](C(=O)O)N	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	map00220 Arginine biosynthesis; map00230 Purine metabolism; map00240 Pyrimidine metabolism; map00250 Alanine, aspartate and glutamate metabolism; map00471 D-Glutamine and D-glutamate metabolism; map00630 Glyoxylate and dicarboxylate metabolism; map00910 Nitrogen metabolism; map00970 Aminoacyl-tRNA biosynthesis; map01060 Biosynthesis of plant secondary metabolites; map01100 Metabolic pathways; map01120 Microbial metabolism in diverse environments; map01230 Biosynthesis of amino acids; map02010 ABC transporters; map02020 Two-component system; map04724 Glutamatergic synapse; map04727 GABAergic synapse; map04964 Proximal tubule bicarbonate reclamation; map04974 Protein digestion and absorption; map04978 Mineral absorption; map05230 Central carbon metabolism in cancer
+HMDB0008984	PE(16:1(9Z)/P-18:1(11Z))	HMDB0008984	53479607	NA	C00350	NA	CCCCCC/C=C\CCCCCCCC/C=C\O[C@H](COC(=O)CCCCCCC/C=C\CCCCCC)COP(=O)(O)OCCN	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines	NA
+HMDB0007877	PC(14:0/18:4(6Z,9Z,12Z,15Z))	HMDB0007877	24778627	NA	C00157	NA	CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphocholines	NA
+HMDB0013472	PGP(16:0/16:0)	HMDB0013472	49859598	NA		NA	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@H](COP(=O)(O)O)O)OC(=O)CCCCCCCCCCCCCCC	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoglycerophosphates	NA
+HMDB0009203	PE(18:4(6Z,9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z))	HMDB0009203	52924463	NA	C00350	NA	CC/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines	NA
+HMDB0013493	PGP(16:1(9Z)/18:3(6Z,9Z,12Z))	HMDB0013493	53481813	NA		NA	CCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@H](COP(=O)(O)O)O)OC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoglycerophosphates	NA
+HMDB0030525	Rhizonin A	HMDB0030525	163494	NA		NA	CCC(C)C1C(=O)NC(C(=O)NC(C(=O)N(C(C(=O)NC(C(=O)N(C(C(=O)N(C(C(=O)N1)CC2=COC=C2)C)C)C)CC(C)C)CC3=COC=C3)C)C(C)C)C(C)C	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	NA
+C00593	Sulfoacetaldehyde	METPA0059	NA	NA	C00593	NA	NA	null	null	null	map00430 Taurine and hypotaurine metabolism; map00680 Methane metabolism; map01100 Metabolic pathways; map01120 Microbial metabolism in diverse environments
+HMDB0009512	PE(22:0/P-18:1(11Z))	HMDB0009512	53479850	NA	C00350	NA	CCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)O/C=C\CCCCCCCC/C=C\CCCCCC	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines	NA
+C00077	Ornithine	HMDB0000214	6262	15729	C00077	27	C(C[C@@H](C(=O)O)N)CN	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	map00220 Arginine biosynthesis; map00330 Arginine and proline metabolism; map00472 D-Arginine and D-ornithine metabolism; map00480 Glutathione metabolism; map00999 Biosynthesis of secondary metabolites - unclassified; map01060 Biosynthesis of plant secondary metabolites; map01064 Biosynthesis of alkaloids derived from ornithine, lysine and nicotinic acid; map01100 Metabolic pathways; map01110 Biosynthesis of secondary metabolites; map01130 Biosynthesis of antibiotics; map01210 2-Oxocarboxylic acid metabolism; map01230 Biosynthesis of amino acids; map02010 ABC transporters
+C00121	D-Ribose	HMDB0000283	5779	16988	C00121	313	C([C@@H]1[C@H]([C@H](C(O1)O)O)O)O	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates	map00030 Pentose phosphate pathway; map02010 ABC transporters; map02030 Bacterial chemotaxis
+HMDB0031700	1-(Malonylamino)cyclopropanecarboxylic acid	HMDB0031700	133503	NA		NA	C1CC1(C(=O)O)NC(=O)CC(=O)O	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	NA
+HMDB0034881	3-Carboxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-1-propanoic acid	HMDB0034881	NA	NA		NA	OC(=O)CCC1NC(CC2=C1NC1=CC=CC=C21)C(O)=O	Alkaloids and derivatives	Harmala alkaloids	null	NA
+HMDB0035454	YGM 5A	HMDB0035454	NA	NA		NA	COC1=C(O)C=CC(=C1)C1=[O+]C2=C(C=C1OC1OC(COC(=O)\C=C\C3=CC=C(O)C(O)=C3)C(O)C(O)C1OC1OC(COC(=O)C3=CC=C(O)C=C3)C(O)C(O)C1O)C(OC1OC(CO)C(O)C(O)C1O)=CC(O)=C2	Phenylpropanoids and polyketides	Flavonoids	Flavonoid glycosides	NA
+C00184	Dihydroxyacetone	HMDB0001882	670	16016	C00184	6368	C(C(=O)CO)O	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates	map00561 Glycerolipid metabolism; map00680 Methane metabolism; map01100 Metabolic pathways; map01120 Microbial metabolism in diverse environments; map01200 Carbon metabolism
+C00606	3-Sulfinoalanine	HMDB0000996	439270	41721	C00606	5927	C([C@@H](C(=O)O)N)S(=O)=O	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	map00270 Cysteine and methionine metabolism; map00430 Taurine and hypotaurine metabolism; map01100 Metabolic pathways
+C01551	Allantoin	HMDB0000462	204	15676	C01551	89	C1(C(=O)NC(=O)N1)NC(=O)N	Organoheterocyclic compounds	Azoles	Imidazoles	NULL
+HMDB0007875	PC(14:0/18:3(6Z,9Z,12Z))	HMDB0007875	52922220	NA	C00157	NA	CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC	null	null	null	NA
+HMDB0010666	PG(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z))	HMDB0010666	52926645	NA		NA	CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)OC[C@H](COP(=O)(O)OC[C@H](CO)O)OC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoglycerols	NA
+C08425	Progoitrin	HMDB0034071	NA	8454	C08425	NA	OCC1OC(S\C(CC(O)C=C)=N\OS(O)(=O)=O)C(O)C(O)C1O	null	null	null	NULL
+C00063	Cytidine triphosphate	HMDB0000082	6176	17677	C00063	5136	C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates	map00240 Pyrimidine metabolism; map00515 Mannose type O-glycan biosynthesis; map01100 Metabolic pathways
+C00140	N-Acetyl-D-glucosamine	HMDB0000215	439174	506227	C00140	3356	CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](OC1O)CO)O)O	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates	map00520 Amino sugar and nucleotide sugar metabolism; map01100 Metabolic pathways; map02010 ABC transporters; map02060 Phosphotransferase system (PTS)
+C00224	Adenosine phosphosulfate	HMDB0001003	10238	17709	C00224	5933	C1=NC2=C(C(=N1)N)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OS(=O)(=O)O)O)O	Nucleosides, nucleotides, and analogues	Purine nucleotides	Purine ribonucleotides	map00230 Purine metabolism; map00261 Monobactam biosynthesis; map00920 Sulfur metabolism; map01100 Metabolic pathways; map01120 Microbial metabolism in diverse environments; map01130 Biosynthesis of antibiotics
+HMDB0031968	Malvidin 3-glucoside-4-vinylphenol	HMDB0031968	NA	NA		NA	COC1=CC(=CC(OC)=C1O)C1=[O+]C2=C3C(OC(=CC3=C1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C1=CC=C(O)C=C1)=CC(O)=C2	Phenylpropanoids and polyketides	Tannins	Proanthocyanidins	NA
+C00355	L-Dopa	HMDB0000181	6047	15765	C00355	42	C1=CC(=C(C=C1C[C@@H](C(=O)O)N)O)O	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	map00350 Tyrosine metabolism; map00950 Isoquinoline alkaloid biosynthesis; map00965 Betalain biosynthesis; map01060 Biosynthesis of plant secondary metabolites; map01063 Biosynthesis of alkaloids derived from shikimate pathway; map01100 Metabolic pathways; map01110 Biosynthesis of secondary metabolites; map04728 Dopaminergic synapse; map04917 Prolactin signaling pathway; map05012 Parkinson disease; map05030 Cocaine addiction; map05031 Amphetamine addiction; map05034 Alcoholism
+C05283	N2-gamma-Glutamylglutamine	HMDB0011738	150914	73707	C05283	NA	C(CC(=O)N[C@@H](CCC(=O)N)C(=O)O)[C@@H](C(=O)O)N	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	NULL
+HMDB0015685	Azidocillin	HMDB0015685	15574941	51758		NA	CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CC=CC=C3)N=[N+]=[N-])C(=O)O)C	Organoheterocyclic compounds	Lactams	Beta lactams	NA
+HMDB0002220	N-Acetyl-6-O-L-fucosyl-D-glucosamine	HMDB0002220	22833588	NA		NA	C[C@H]1[C@H]([C@H]([C@@H](C(O1)OCC([C@H]([C@@H]([C@H](C=O)NC(=O)C)O)O)O)O)O)O	Lipids and lipid-like molecules	Fatty Acyls	Fatty acyl glycosides	NA
+C06879	Cefamandole	HMDB0015421	456255	3480	C06879	NA	CN1C(=NN=N1)SCC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)[C@@H](C4=CC=CC=C4)O)SC2)C(=O)O	Organoheterocyclic compounds	Lactams	Beta lactams	NULL
+C01847	FMNH2	HMDB0001142	445395	16048	C01847	6034	CC1=CC2=C(C=C1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O	Nucleosides, nucleotides, and analogues	Flavin nucleotides	null	map00740 Riboflavin metabolism; map01057 Biosynthesis of type II polyketide products; map01100 Metabolic pathways
+HMDB0005788	Theaflavin	HMDB0005788	22833651	NA		NA	C1[C@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC(=O)C(=C4C(=C3)C=C(C(=C4O)O)[C@@H]5[C@@H](CC6=C(C=C(C=C6O5)O)O)O)O)O	Phenylpropanoids and polyketides	Flavonoids	Flavans	NA
+HMDB0032778	Kaempferol 3-(2'',4''-di-(Z)-p-coumaroylrhamnoside)	HMDB0032778	NA	NA		NA	CC1OC(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC=C(O)C=C2)C(OC(=O)\C=C\C2=CC=C(O)C=C2)C(O)C1OC(=O)\C=C\C1=CC=C(O)C=C1	Phenylpropanoids and polyketides	Flavonoids	Flavonoid glycosides	NA
+C00122	Fumaric acid	HMDB0000134	444972	18012	C00122	3242	C(=C/C(=O)O)\C(=O)O	Organic acids and derivatives	Carboxylic acids and derivatives	Dicarboxylic acids and derivatives	map00020 Citrate cycle (TCA cycle); map00190 Oxidative phosphorylation; map00220 Arginine biosynthesis; map00250 Alanine, aspartate and glutamate metabolism; map00350 Tyrosine metabolism; map00360 Phenylalanine metabolism; map00620 Pyruvate metabolism; map00643 Styrene degradation; map00650 Butanoate metabolism; map00720 Carbon fixation pathways in prokaryotes; map00760 Nicotinate and nicotinamide metabolism; map01060 Biosynthesis of plant secondary metabolites; map01061 Biosynthesis of phenylpropanoids; map01062 Biosynthesis of terpenoids and steroids; map01063 Biosynthesis of alkaloids derived from shikimate pathway; map01064 Biosynthesis of alkaloids derived from ornithine, lysine and nicotinic acid; map01065 Biosynthesis of alkaloids derived from histidine and purine; map01066 Biosynthesis of alkaloids derived from terpenoid and polyketide; map01070 Biosynthesis of plant hormones; map01100 Metabolic pathways; map01110 Biosynthesis of secondary metabolites; map01120 Microbial metabolism in diverse environments; map01130 Biosynthesis of antibiotics; map01200 Carbon metabolism; map01220 Degradation of aromatic compounds; map02020 Two-component system; map04922 Glucagon signaling pathway; map05200 Pathways in cancer; map05211 Renal cell carcinoma; map05230 Central carbon metabolism in cancer
+C00022	Pyruvic acid	HMDB0000243	1060	32816	C00022	117	CC(=O)C(=O)O	Organic acids and derivatives	Keto acids and derivatives	Alpha-keto acids and derivatives	map00010 Glycolysis / Gluconeogenesis; map00020 Citrate cycle (TCA cycle); map00030 Pentose phosphate pathway; map00040 Pentose and glucuronate interconversions; map00053 Ascorbate and aldarate metabolism; map00250 Alanine, aspartate and glutamate metabolism; map00260 Glycine, serine and threonine metabolism; map00261 Monobactam biosynthesis; map00270 Cysteine and methionine metabolism; map00290 Valine, leucine and isoleucine biosynthesis; map00330 Arginine and proline metabolism; map00350 Tyrosine metabolism; map00360 Phenylalanine metabolism; map00362 Benzoate degradation; map00430 Taurine and hypotaurine metabolism; map00440 Phosphonate and phosphinate metabolism; map00473 D-Alanine metabolism; map00620 Pyruvate metabolism; map00621 Dioxin degradation; map00622 Xylene degradation; map00630 Glyoxylate and dicarboxylate metabolism; map00650 Butanoate metabolism; map00660 C5-Branched dibasic acid metabolism; map00680 Methane metabolism; map00710 Carbon fixation in photosynthetic organisms; map00720 Carbon fixation pathways in prokaryotes; map00730 Thiamine metabolism; map00760 Nicotinate and nicotinamide metabolism; map00770 Pantothenate and CoA biosynthesis; map00900 Terpenoid backbone biosynthesis; map01060 Biosynthesis of plant secondary metabolites; map01061 Biosynthesis of phenylpropanoids; map01062 Biosynthesis of terpenoids and steroids; map01063 Biosynthesis of alkaloids derived from shikimate pathway; map01064 Biosynthesis of alkaloids derived from ornithine, lysine and nicotinic acid; map01065 Biosynthesis of alkaloids derived from histidine and purine; map01066 Biosynthesis of alkaloids derived from terpenoid and polyketide; map01070 Biosynthesis of plant hormones; map01100 Metabolic pathways; map01110 Biosynthesis of secondary metabolites; map01120 Microbial metabolism in diverse environments; map01130 Biosynthesis of antibiotics; map01200 Carbon metabolism; map01210 2-Oxocarboxylic acid metabolism; map01220 Degradation of aromatic compounds; map01230 Biosynthesis of amino acids; map01502 Vancomycin resistance; map02060 Phosphotransferase system (PTS); map04066 HIF-1 signaling pathway; map04152 AMPK signaling pathway; map04911 Insulin secretion; map04922 Glucagon signaling pathway; map04930 Type II diabetes mellitus; map04931 Insulin resistance; map05230 Central carbon metabolism in cancer
+C00295	Orotic acid	HMDB0000226	967	16742	C00295	318	C1=C(NC(=O)NC1=O)C(=O)O	Organoheterocyclic compounds	Diazines	Pyrimidines and pyrimidine derivatives	map00240 Pyrimidine metabolism; map01100 Metabolic pathways
+C00158	Citric acid	HMDB0000094	311	30769	C00158	124	C(C(=O)O)C(CC(=O)O)(C(=O)O)O	Organic acids and derivatives	Carboxylic acids and derivatives	Tricarboxylic acids and derivatives	map00020 Citrate cycle (TCA cycle); map00250 Alanine, aspartate and glutamate metabolism; map00630 Glyoxylate and dicarboxylate metabolism; map00720 Carbon fixation pathways in prokaryotes; map01060 Biosynthesis of plant secondary metabolites; map01061 Biosynthesis of phenylpropanoids; map01062 Biosynthesis of terpenoids and steroids; map01063 Biosynthesis of alkaloids derived from shikimate pathway; map01064 Biosynthesis of alkaloids derived from ornithine, lysine and nicotinic acid; map01065 Biosynthesis of alkaloids derived from histidine and purine; map01066 Biosynthesis of alkaloids derived from terpenoid and polyketide; map01070 Biosynthesis of plant hormones; map01100 Metabolic pathways; map01110 Biosynthesis of secondary metabolites; map01120 Microbial metabolism in diverse environments; map01130 Biosynthesis of antibiotics; map01200 Carbon metabolism; map01210 2-Oxocarboxylic acid metabolism; map01230 Biosynthesis of amino acids; map02020 Two-component system; map04742 Taste transduction; map04922 Glucagon signaling pathway; map05230 Central carbon metabolism in cancer
+C00055	Cytidine monophosphate	HMDB0000095	6131	17361	C00055	5143	C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O	Nucleosides, nucleotides, and analogues	Pyrimidine nucleotides	Pyrimidine ribonucleotides	map00240 Pyrimidine metabolism; map01100 Metabolic pathways
+HMDB0033489	Isoaurasperone A	HMDB0033489	NA	NA		NA	COC1=CC2=C(C(O)=C1)C(OC)=C1C(=O)C=C(C)OC1=C2C1=C(OC)C=C2C=C3OC(C)=CC(=O)C3=C(OC)C2=C1O	Organoheterocyclic compounds	Naphthopyrans	Naphthopyranones	NA
+HMDB0014118	Trifluoroacetic acid	HMDB0014118	NA	45892		NA	OC(=O)C(F)(F)F	Organic acids and derivatives	Carboxylic acids and derivatives	Alpha-halocarboxylic acids and derivatives	NA
+HMDB0033585	Acesulfame	HMDB0033585	36573	83501		NA	CC1=CC(=O)NS(=O)(=O)O1	Organic acids and derivatives	Organic sulfuric acids and derivatives	null	NA
+HMDB0008029	PC(16:1(9Z)/P-18:1(11Z))	HMDB0008029	53478697	NA	C00157	NA	CCCCCC/C=C\CCCCCCCC/C=C\OC(COC(=O)CCCCCCC/C=C\CCCCCC)COP(=O)([O-])OCC[N+](C)(C)C	null	null	null	NA
+HMDB0034831	Orthoperiodic acid	HMDB0034831	25289	29150		NA	OI(=O)(O)(O)(O)O	Homogeneous non-metal compounds	Other non-metal halides	null	NA
+C08039	Hexachlorophene	HMDB0014894	3598	108167	C08039	NA	C1=C(C(=C(C(=C1Cl)Cl)CC2=C(C(=CC(=C2Cl)Cl)Cl)O)O)Cl	Benzenoids	Benzene and substituted derivatives	Diphenylmethanes	NULL
+C00209	Oxalic acid	HMDB0002329	971	16995	C00209	113	C(=O)(C(=O)O)O	Organic acids and derivatives	Carboxylic acids and derivatives	Dicarboxylic acids and derivatives	map00230 Purine metabolism; map00625 Chloroalkane and chloroalkene degradation; map00630 Glyoxylate and dicarboxylate metabolism; map01100 Metabolic pathways; map01120 Microbial metabolism in diverse environments
+HMDB0034694	2'',4'',6''-Triacetylglycitin	HMDB0034694	NA	NA		NA	COC1=C(OC2OC(COC(C)=O)C(OC(C)=O)C(O)C2OC(C)=O)C=C2OC=C(C(=O)C2=C1)C1=CC=C(O)C=C1	Phenylpropanoids and polyketides	Isoflavonoids	Isoflavonoid O-glycosides	NA
+C08995	Aurasperone D	HMDB0033488	155008	NA	C08995	NA	CC1=CC(=O)C2=C(O1)C=C3C=C(C(=C(C3=C2O)OC)C4=C5C(=C(C6=C(C=C(C=C64)OC)O)O)C(=O)C=C(O5)C)OC	Organoheterocyclic compounds	Naphthopyrans	Naphthopyranones	NULL
+C00182	Glycogen	HMDB0000757	439177	28087	C00182	160	C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O)CO)O)O)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O)O	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates	map04922 Glucagon signaling pathway
+C08537	Amaranthin	HMDB0029406	4480711	2621	C08537	NA	C1C(NC(=CC1=CC=[N+]2C(CC3=CC(=C(C=C32)O)OC4C(C(C(C(O4)CO)O)O)OC5C(C(C(C(O5)C(=O)O)O)O)O)C(=O)[O-])C(=O)O)C(=O)O	null	null	null	map00965 Betalain biosynthesis
+HMDB0028772	Cysteinyl-Cysteine	HMDB0028772	NA	NA		NA	NC(CS)C(=O)NC(CS)C(O)=O	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	NA
+C00389	Quercetin	HMDB0005794	5280343	16243	C00389	NA	C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O	Phenylpropanoids and polyketides	Flavonoids	Flavones	map00941 Flavonoid biosynthesis; map00944 Flavone and flavonol biosynthesis; map01100 Metabolic pathways; map01110 Biosynthesis of secondary metabolites; map04152 AMPK signaling pathway
+C00475	Cytidine	HMDB0000089	6175	17562	C00475	3376	C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O	Nucleosides, nucleotides, and analogues	Pyrimidine nucleosides	null	map00240 Pyrimidine metabolism; map01100 Metabolic pathways
+C01817	DL-Homocystine	HMDB0000575	10010	17485	C01817	5557	C(CSSCCC(C(=O)O)N)C(C(=O)O)N	null	null	null	map00270 Cysteine and methionine metabolism
+C00365	dUMP	HMDB0001409	65063	17622	C00365	6225	C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O	Nucleosides, nucleotides, and analogues	Pyrimidine nucleotides	Pyrimidine deoxyribonucleotides	map00240 Pyrimidine metabolism; map01100 Metabolic pathways; map01523 Antifolate resistance
+C00242	Guanine	HMDB0000132	764	16235	C00242	315	C1=NC2=C(N1)C(=O)N=C(N2)N	Organoheterocyclic compounds	Imidazopyrimidines	Purines and purine derivatives	map00230 Purine metabolism; map01100 Metabolic pathways
+HMDB0012285	Ribose-1-arsenate	HMDB0012285	25201247	NA		NA	C(C1C(C(C(O1)O[As](=O)(O)O)O)O)O	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates	NA
+C00104	IDP	HMDB0003335	644173	17808	C00104	6892	C1=NC(=O)C2=C(N1)N(C=N2)C3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O)O)O	null	null	null	map00230 Purine metabolism
+C01045	N-Formyl-L-glutamic acid	HMDB0003470	439376	48309	C01045	6939	C(CC(=O)O)[C@@H](C(=O)O)NC=O	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	map00340 Histidine metabolism; map01100 Metabolic pathways
+C04489	5-Methyltetrahydropteroyltri-L-glutamate	HMDB0012177	16722111	17614	C04489	NA	CN1[C@H](CNC2=C1C(=O)N=C(N2)N)CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O	Organoheterocyclic compounds	Pteridines and derivatives	Pterins and derivatives	NULL
+C07295	Methylarsonite	HMDB0012259	161491	17826	C07295	NA	C[As](O)O	Organometallic compounds	Organometalloid compounds	Organoarsenic compounds	NULL
+C01005	Phosphoserine	HMDB0000272	68841	15811	C01005	5270	C([C@@H](C(=O)O)N)OP(=O)(O)O	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	map00260 Glycine, serine and threonine metabolism; map00270 Cysteine and methionine metabolism; map00680 Methane metabolism; map00970 Aminoacyl-tRNA biosynthesis; map01100 Metabolic pathways; map01120 Microbial metabolism in diverse environments; map01130 Biosynthesis of antibiotics; map01200 Carbon metabolism; map01230 Biosynthesis of amino acids
+C07041	Hydrochlorothiazide	HMDB0001928	3639	102045	C07041	3169	C1NC2=CC(=C(C=C2S(=O)(=O)N1)S(=O)(=O)N)Cl	Organoheterocyclic compounds	Thiadiazines	Benzothiadiazines	NULL
+C05379	Oxalosuccinic acid	HMDB0003974	972	7815	C05379	6996	C(C(C(=O)C(=O)O)C(=O)O)C(=O)O	Organic acids and derivatives	Carboxylic acids and derivatives	Tricarboxylic acids and derivatives	map00020 Citrate cycle (TCA cycle); map01100 Metabolic pathways; map01110 Biosynthesis of secondary metabolites; map01120 Microbial metabolism in diverse environments; map01130 Biosynthesis of antibiotics; map01210 2-Oxocarboxylic acid metabolism
+HMDB0032886	Orange I	HMDB0032886	NA	NA		NA	OC1=CC=C(\N=N/C2=CC=C(C=C2)S(O)(=O)=O)C2=CC=CC=C12	Benzenoids	Naphthalenes	Naphthols and derivatives	NA
+C01546	2-Furoic acid	HMDB0000617	6919	30845	C01546	2266	C1=COC(=C1)C(=O)O	Organoheterocyclic compounds	Furans	Furoic acid and derivatives	map00365 Furfural degradation; map01120 Microbial metabolism in diverse environments
+C00417	cis-Aconitic acid	HMDB0000072	643757	32805	C00417	5130	C(/C(=C/C(=O)O)/C(=O)O)C(=O)O	Organic acids and derivatives	Carboxylic acids and derivatives	Tricarboxylic acids and derivatives	map00020 Citrate cycle (TCA cycle); map00630 Glyoxylate and dicarboxylate metabolism; map00660 C5-Branched dibasic acid metabolism; map00720 Carbon fixation pathways in prokaryotes; map01060 Biosynthesis of plant secondary metabolites; map01061 Biosynthesis of phenylpropanoids; map01062 Biosynthesis of terpenoids and steroids; map01063 Biosynthesis of alkaloids derived from shikimate pathway; map01064 Biosynthesis of alkaloids derived from ornithine, lysine and nicotinic acid; map01065 Biosynthesis of alkaloids derived from histidine and purine; map01066 Biosynthesis of alkaloids derived from terpenoid and polyketide; map01070 Biosynthesis of plant hormones; map01100 Metabolic pathways; map01110 Biosynthesis of secondary metabolites; map01120 Microbial metabolism in diverse environments; map01130 Biosynthesis of antibiotics; map01210 2-Oxocarboxylic acid metabolism
+C00026	Oxoglutaric acid	HMDB0000208	51	30915	C00026	5218	C(CC(=O)O)C(=O)C(=O)O	Organic acids and derivatives	Keto acids and derivatives	Gamma-keto acids and derivatives	map00020 Citrate cycle (TCA cycle); map00040 Pentose and glucuronate interconversions; map00053 Ascorbate and aldarate metabolism; map00220 Arginine biosynthesis; map00250 Alanine, aspartate and glutamate metabolism; map00300 Lysine biosynthesis; map00310 Lysine degradation; map00340 Histidine metabolism; map00365 Furfural degradation; map00430 Taurine and hypotaurine metabolism; map00471 D-Glutamine and D-glutamate metabolism; map00630 Glyoxylate and dicarboxylate metabolism; map00650 Butanoate metabolism; map00660 C5-Branched dibasic acid metabolism; map00720 Carbon fixation pathways in prokaryotes; map01060 Biosynthesis of plant secondary metabolites; map01061 Biosynthesis of phenylpropanoids; map01062 Biosynthesis of terpenoids and steroids; map01063 Biosynthesis of alkaloids derived from shikimate pathway; map01064 Biosynthesis of alkaloids derived from ornithine, lysine and nicotinic acid; map01065 Biosynthesis of alkaloids derived from histidine and purine; map01066 Biosynthesis of alkaloids derived from terpenoid and polyketide; map01070 Biosynthesis of plant hormones; map01100 Metabolic pathways; map01110 Biosynthesis of secondary metabolites; map01120 Microbial metabolism in diverse environments; map01130 Biosynthesis of antibiotics; map01200 Carbon metabolism; map01210 2-Oxocarboxylic acid metabolism; map01230 Biosynthesis of amino acids; map04066 HIF-1 signaling pathway; map04727 GABAergic synapse; map04922 Glucagon signaling pathway; map04964 Proximal tubule bicarbonate reclamation; map04976 Bile secretion; map05230 Central carbon metabolism in cancer
+HMDB0029202	hesperetin 3'-O-sulfate	HMDB0029202	NA	NA		NA	COC1=CC=C(C=C1OS(O)(=O)=O)C1CC(=O)C2=C(O1)C=C(O)C=C2O	Phenylpropanoids and polyketides	Flavonoids	O-methylated flavonoids	NA
+C00700	Xanthosine 5-triphosphate	HMDB0000293	439296	10049	C00700	NA	C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)NC(=O)NC2=O	Nucleosides, nucleotides, and analogues	Purine nucleotides	Purine ribonucleotides	map00230 Purine metabolism
+C06193	Guanosine 3'-phosphate	METPA0785	NA	NA	C06193	NA	NA	null	null	null	map00230 Purine metabolism
+C03722	Quinolinic acid	HMDB0000232	1066	16675	C03722	330	C1=CC(=C(N=C1)C(=O)O)C(=O)O	Organoheterocyclic compounds	Pyridines and derivatives	Pyridinecarboxylic acids and derivatives	map00380 Tryptophan metabolism; map00410 beta-Alanine metabolism; map00760 Nicotinate and nicotinamide metabolism; map01060 Biosynthesis of plant secondary metabolites; map01064 Biosynthesis of alkaloids derived from ornithine, lysine and nicotinic acid; map01100 Metabolic pathways
+C00366	Uric acid	HMDB0000289	1175	17775	C00366	88	C12=C(NC(=O)N1)NC(=O)NC2=O	Organoheterocyclic compounds	Imidazopyrimidines	Purines and purine derivatives	map00230 Purine metabolism; map01100 Metabolic pathways; map01120 Microbial metabolism in diverse environments; map04976 Bile secretion
+C11821	5-Hydroxyisourate	HMDB0030097	250388	18072	C11821	NA	C12=NC(=O)NC1(C(=O)NC(=O)N2)O	Alkaloids and derivatives	null	null	map00230 Purine metabolism; map01100 Metabolic pathways; map01120 Microbial metabolism in diverse environments
+C10788	Ellagic acid	HMDB0002899	5281855	4775	C10788	3430	C1=C2C3=C(C(=C1O)O)OC(=O)C4=CC(=C(C(=C43)OC2=O)O)O	Phenylpropanoids and polyketides	Tannins	Hydrolyzable tannins	NULL
+C08075	Oxiconazole	HMDB0014384	5361463	NA	C08075	NA	C1=CC(=C(C=C1Cl)Cl)CO/N=C(/CN2C=CN=C2)\C3=C(C=C(C=C3)Cl)Cl	null	null	null	NULL
+C00117	D-Ribose 5-phosphate	HMDB0001548	439167	52742	C00117	6315	C([C@@H]1[C@H]([C@H](C(O1)O)O)O)OP(=O)(O)O	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates	map00030 Pentose phosphate pathway; map00230 Purine metabolism; map00440 Phosphonate and phosphinate metabolism; map00710 Carbon fixation in photosynthetic organisms; map01100 Metabolic pathways; map01110 Biosynthesis of secondary metabolites; map01120 Microbial metabolism in diverse environments; map01130 Biosynthesis of antibiotics; map01200 Carbon metabolism; map01230 Biosynthesis of amino acids; map04918 Thyroid hormone synthesis
+C00105	Uridine 5'-monophosphate	HMDB0000288	6030	16695	C00105	NA	C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O	Nucleosides, nucleotides, and analogues	Pyrimidine nucleotides	Pyrimidine ribonucleotides	map00240 Pyrimidine metabolism; map01100 Metabolic pathways
+C00246	Butyric acid	HMDB0000039	264	30772	C00246	107	CCCC(=O)O	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	map00650 Butanoate metabolism; map01100 Metabolic pathways; map04973 Carbohydrate digestion and absorption; map04974 Protein digestion and absorption
+C05828	Methylimidazoleacetic acid	HMDB0002820	75810	NA	C05828	3774	CN1C=C(N=C1)CC(=O)O	Organoheterocyclic compounds	Azoles	Imidazoles	map00340 Histidine metabolism
+C00299	Uridine	HMDB0000296	6029	16704	C00299	90	C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O	Nucleosides, nucleotides, and analogues	Pyrimidine nucleosides	null	map00240 Pyrimidine metabolism; map01100 Metabolic pathways
+HMDB0028743	Asparaginyl-Tyrosine	HMDB0028743	NA	NA		NA	NC(CC(N)=O)C(=O)NC(CC1=CC=C(O)C=C1)C(O)=O	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	NA
+C07207	Zalcitabine	HMDB0015078	24066	10101	C07207	NA	C1C[C@@H](O[C@@H]1CO)N2C=CC(=NC2=O)N	Nucleosides, nucleotides, and analogues	Pyrimidine nucleosides	Pyrimidine 2',3'-dideoxyribonucleosides	map04976 Bile secretion
+C04015	N-Acetyl-4-O-acetylneuraminic acid	HMDB0000796	440197	32844	C04015	5761	CC(=O)N[C@@H]1[C@H](C[C@](O[C@H]1C(C(CO)O)O)(C(=O)O)O)OC(=O)C	null	null	null	NULL
+C00042	Succinic acid	HMDB0000254	1110	15741	C00042	114	C(CC(=O)O)C(=O)O	Organic acids and derivatives	Carboxylic acids and derivatives	Dicarboxylic acids and derivatives	map00020 Citrate cycle (TCA cycle); map00190 Oxidative phosphorylation; map00250 Alanine, aspartate and glutamate metabolism; map00310 Lysine degradation; map00350 Tyrosine metabolism; map00360 Phenylalanine metabolism; map00361 Chlorocyclohexane and chlorobenzene degradation; map00620 Pyruvate metabolism; map00630 Glyoxylate and dicarboxylate metabolism; map00640 Propanoate metabolism; map00650 Butanoate metabolism; map00720 Carbon fixation pathways in prokaryotes; map00760 Nicotinate and nicotinamide metabolism; map00920 Sulfur metabolism; map01060 Biosynthesis of plant secondary metabolites; map01061 Biosynthesis of phenylpropanoids; map01062 Biosynthesis of terpenoids and steroids; map01063 Biosynthesis of alkaloids derived from shikimate pathway; map01064 Biosynthesis of alkaloids derived from ornithine, lysine and nicotinic acid; map01065 Biosynthesis of alkaloids derived from histidine and purine; map01066 Biosynthesis of alkaloids derived from terpenoid and polyketide; map01070 Biosynthesis of plant hormones; map01100 Metabolic pathways; map01110 Biosynthesis of secondary metabolites; map01120 Microbial metabolism in diverse environments; map01130 Biosynthesis of antibiotics; map01200 Carbon metabolism; map01220 Degradation of aromatic compounds; map02020 Two-component system; map04024 cAMP signaling pathway; map04727 GABAergic synapse; map04922 Glucagon signaling pathway; map05230 Central carbon metabolism in cancer
+C07648	Thioguanine	HMDB0014496	2723601	136864	C07648	NA	C1=NC2=C(N1)C(=S)N=C(N2)N	Organoheterocyclic compounds	Imidazopyrimidines	Purines and purine derivatives	map00983 Drug metabolism - other enzymes
+HMDB0028805	Glutaminylproline	HMDB0028805	11736661	NA		NA	C1C[C@H](N(C1)C(=O)[C@H](CCC(=O)N)N)C(=O)O	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	NA
+HMDB0015551	Erythrityl Tetranitrate	HMDB0015551	5284553	60072		NA	C([C@H]([C@H](CO[N+](=O)[O-])O[N+](=O)[O-])O[N+](=O)[O-])O[N+](=O)[O-]	Organic oxygen compounds	Organic oxoanionic compounds	Organic nitrates	NA
+HMDB0028912	Isoleucyl-Lysine	HMDB0028912	NA	NA		NA	CCC(C)C(N)C(=O)NC(CCCCN)C(O)=O	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	NA
+C01936	Maltohexaose	HMDB0012253	5288409	61953	C01936	NA	C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O[C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4O)O)O[C@@H]5[C@H](O[C@@H]([C@@H]([C@H]5O)O)O[C@@H]6[C@H](O[C@@H]([C@@H]([C@H]6O)O)O)CO)CO)CO)CO)CO)O)O)O)O	null	null	null	NULL
+HMDB0029807	[Nitrilotris(methylene)]trisphosphonic acid	HMDB0029807	16698	527966		NA	C(N(CP(=O)(O)O)CP(=O)(O)O)P(=O)(O)O	Organic acids and derivatives	Organic phosphonic acids and derivatives	Organic phosphonic acids	NA
+C10054	1,5-Dihydroxyxanthone	HMDB0030723	5480299	411468	C10054	NA	C1=CC2=C(C(=C1)O)OC3=C(C2=O)C(=CC=C3)O	null	null	null	NULL
+C00109	2-Ketobutyric acid	HMDB0000005	58	30831	C00109	NA	CCC(=O)C(=O)O	Organic acids and derivatives	Keto acids and derivatives	Short-chain keto acids and derivatives	map00260 Glycine, serine and threonine metabolism; map00270 Cysteine and methionine metabolism; map00290 Valine, leucine and isoleucine biosynthesis; map00640 Propanoate metabolism; map00660 C5-Branched dibasic acid metabolism; map01100 Metabolic pathways; map01110 Biosynthesis of secondary metabolites; map01130 Biosynthesis of antibiotics; map01210 2-Oxocarboxylic acid metabolism; map01230 Biosynthesis of amino acids
+C06606	Paraoxon	HMDB0013035	9395	27827	C06606	NA	CCOP(=O)(OCC)OC1=CC=C(C=C1)[N+](=O)[O-]	Benzenoids	Benzene and substituted derivatives	Nitrobenzenes	map00627 Aminobenzoate degradation; map01120 Microbial metabolism in diverse environments
+C05476	Tetrahydrocorticosterone	HMDB0000268	9863245	NA	C05476	5267	C[C@]12CC[C@H](C[C@H]1CCC3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@H]4C(=O)CO)C)O)O	null	null	null	map00140 Steroid hormone biosynthesis
+C03425	Ethyl oleate	HMDB0034451	5364430	NA	C03425	NA	CCCCCCCC/C=C/CCCCCCCC(=O)OCC	null	null	null	NULL
+C14153	Alpha-Tocotrienol	HMDB0006327	5282347	33270	C14153	NA	CC1=C(C(=C2CC[C@@](OC2=C1C)(C)CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)C)O	Lipids and lipid-like molecules	Prenol lipids	Quinone and hydroquinone lipids	map00130 Ubiquinone and other terpenoid-quinone biosynthesis; map01110 Biosynthesis of secondary metabolites
+HMDB0029782	6-Epi-7-isocucurbic acid glucoside	HMDB0029782	NA	NA		NA	CC\C=C\CC1C(CC(O)=O)CCC1OC1OC(CO)C(O)C(O)C1O	Lipids and lipid-like molecules	Fatty Acyls	Fatty acyl glycosides	NA
+HMDB0014334	Bortezomib	HMDB0014334	387447	52717		NA	B([C@H](CC(C)C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=NC=CN=C2)(O)O	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	NA
+HMDB0029772	Corchoionol C 9-glucoside	HMDB0029772	NA	NA		NA	CC(OC1OC(CO)C(O)C(O)C1O)\C=C\C1(O)C(C)=CC(=O)CC1(C)C	Lipids and lipid-like molecules	Fatty Acyls	Fatty acyl glycosides	NA
+HMDB0014323	Valsartan	HMDB0014323	60846	9927		NA	CCCCC(=O)N(CC1=CC=C(C=C1)C2=CC=CC=C2C3=NNN=N3)[C@@H](C(C)C)C(=O)O	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	NA
+C08166	Toremifene	HMDB0014679	3005573	9635	C08166	NA	CN(C)CCOC1=CC=C(C=C1)/C(=C(/CCCl)\C2=CC=CC=C2)/C3=CC=CC=C3	Phenylpropanoids and polyketides	Stilbenes	null	NULL
+HMDB0035462	Myricetin 3-(6-acetylgalactoside)	HMDB0035462	NA	NA		NA	CC(=O)OCC1OC(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC(O)=C(O)C(O)=C2)C(O)C(O)C1O	Phenylpropanoids and polyketides	Flavonoids	Flavonoid glycosides	NA
+C07706	Perindopril	HMDB0014928	107807	8024	C07706	NA	CCC[C@@H](C(=O)OCC)N[C@@H](C)C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)O	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	NULL
+HMDB0008865	PE(14:1(9Z)/18:4(6Z,9Z,12Z,15Z))	HMDB0008865	52924142	NA	C00350	NA	CCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines	NA
+HMDB0029810	Phytosulfokine b	HMDB0029810	NA	NA		NA	CCC(C)C(\N=C(/O)C(N)CC1=CC=C(OS(O)(=O)=O)C=C1)C(\O)=N\C(CC1=CC=C(OS(O)(=O)=O)C=C1)C(\O)=N\C(C(C)O)C(O)=O	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	NA
+C14154	epsilon-Tocopherol	HMDB0030554	9844470	351876	C14154	NA	CC1=CC(=C(C2=C1OC(CC2)(C)CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)C)O	null	null	null	map00130 Ubiquinone and other terpenoid-quinone biosynthesis; map01110 Biosynthesis of secondary metabolites
+C08316	Erucic acid	HMDB0002068	5281116	28792	C08316	6470	CCCCCCCC/C=C\CCCCCCCCCCCC(=O)O	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	map01040 Biosynthesis of unsaturated fatty acids
+HMDB0012105	SM(d18:1/23:0)	HMDB0012105	46891684	17636	C00550	NA	CCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP(=O)([O-])OCC[N+](C)(C)C)[C@@H](/C=C/CCCCCCCCCCCCC)O	Lipids and lipid-like molecules	Sphingolipids	Phosphosphingolipids	NA
+HMDB0004976	Glucosylceramide (d18:1/26:1(17Z))	HMDB0004976	20057358	NA	C01190	7229	CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)NC(=O)CCCCCCCCCCCCCCC/C=C\CCCCCCCC)O	Lipids and lipid-like molecules	Sphingolipids	Glycosphingolipids	NA
+HMDB0009476	PE(20:5(5Z,8Z,11Z,14Z,17Z)/24:1(15Z))	HMDB0009476	53479838	NA	C00350	NA	CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)COP(=O)(O)OCCN	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines	NA
+HMDB0004890	Ganglioside GA2 (d18:1/16:0)	HMDB0004890	22833615	NA	C06135	7147	CCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1C([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)NC(=O)C)O)O)O)O)[C@@H](/C=C/CCCCCCCCCCCCC)O	Lipids and lipid-like molecules	Sphingolipids	Glycosphingolipids	NA
+HMDB0007896	PC(14:0/P-18:0)	HMDB0007896	53478617	NA	C00157	NA	CCCCCCCCCCCCCCCC/C=C\OC(COC(=O)CCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphocholines	NA
+HMDB0013448	PC(o-22:0/20:4(8Z,11Z,14Z,17Z))	HMDB0013448	53481751	NA		NA	CCCCCCCCCCCCCCCCCCCCCCOC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphocholines	NA
+HMDB0004833	Galabiosylceramide (d18:1/16:0)	HMDB0004833	20057274	NA	C06126	7092	CCCCCCCCCCCCCCCC(=O)NC(CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)O)C(/C=C\CCCCCCCCCCCCC)O	Lipids and lipid-like molecules	Sphingolipids	Glycosphingolipids	NA
+HMDB0030902	Notoginsenoside G	HMDB0030902	NA	NA		NA	CC(C)=CCCC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3=CC(O)C21C	Lipids and lipid-like molecules	Steroids and steroid derivatives	Steroidal glycosides	NA
+HMDB0032843	AS 1-5	HMDB0032843	NA	NA		NA	CCCCCCCCCCCCCCC(O)C(=O)NC(COC1OC(CO)C(O)C(O)C1O)C(O)\C=C\CCCCCCCCCCCCC	Lipids and lipid-like molecules	Sphingolipids	Glycosphingolipids	NA
+HMDB0010595	PG(16:1(9Z)/20:4(5Z,8Z,11Z,14Z))	HMDB0010595	52927164	NA		NA	CCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@H](CO)O)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoglycerols	NA
+HMDB0004832	Galabiosylceramide (d18:1/9Z-18:1)	HMDB0004832	20057273	NA	C06126	7091	CCCCCCCCCCCCC/C=C\C(C(CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)O)NC(=O)CCCCCCC/C=C\CCCCCCCC)O	Lipids and lipid-like molecules	Sphingolipids	Glycosphingolipids	NA
+HMDB0007355	DG(18:4(6Z,9Z,12Z,15Z)/24:1(15Z)/0:0)	HMDB0007355	53478184	NA		NA	CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC	Lipids and lipid-like molecules	Glycerolipids	Diradylglycerols	NA
+HMDB0008257	PC(18:4(6Z,9Z,12Z,15Z)/24:1(15Z))	HMDB0008257	53478869	NA	C00157	NA	CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)COP(=O)([O-])OCC[N+](C)(C)C	null	null	null	NA
+HMDB0007878	PC(14:0/20:0)	HMDB0007878	24778633	NA	C00157	NA	CCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphocholines	NA
+HMDB0009641	PE(22:5(4Z,7Z,10Z,13Z,16Z)/24:1(15Z))	HMDB0009641	53479937	NA	C00350	NA	CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COP(=O)(O)OCCN	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines	NA
+HMDB0035555	10,12-Pentacosanedione	HMDB0035555	NA	NA		NA	CCCCCCCCCCCCCC(=O)CC(=O)CCCCCCCCC	Organic oxygen compounds	Organooxygen compounds	Carbonyl compounds	NA
+HMDB0004844	Ganglioside GM3 (d18:1/16:0)	HMDB0004844	20057285	NA	C04730	7103	CCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1C([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O[C@@]3(C[C@@H]([C@H](C(O3)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)O)O)O)[C@@H](/C=C/CCCCCCCCCCCCC)O	Lipids and lipid-like molecules	Sphingolipids	Glycosphingolipids	NA
+HMDB0034841	Faradiol myristate	HMDB0034841	NA	NA		NA	CCCCCCCCCCCCCC(=O)OC1CCC2(C)C(CCC3(C)C2CCC2C4C(C)C(C)=CCC4(C)C(O)CC32C)C1(C)C	Lipids and lipid-like molecules	Prenol lipids	Triterpenoids	NA
+HMDB0007995	PC(16:0/P-18:0)	HMDB0007995	53478673	NA	C00157	NA	CCCCCCCCCCCCCCCC/C=C\OC(COC(=O)CCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphocholines	NA
+HMDB0007891	PC(14:0/22:5(7Z,10Z,13Z,16Z,19Z))	HMDB0007891	53478613	NA	C00157	NA	CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC	null	null	null	NA
+HMDB0004834	Galabiosylceramide (d18:1/18:0)	HMDB0004834	20057275	NA	C06126	7093	CCCCCCCCCCCCCCCCCC(=O)NC(CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)O)C(/C=C\CCCCCCCCCCCCC)O	Lipids and lipid-like molecules	Sphingolipids	Glycosphingolipids	NA
+HMDB0008621	PC(22:2(13Z,16Z)/P-18:1(11Z))	HMDB0008621	53479247	NA	C00157	NA	CCCCCC/C=C\CCCCCCCC/C=C\OC(COC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)COP(=O)([O-])OCC[N+](C)(C)C	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphocholines	NA
+HMDB0008923	PE(16:0/16:0)	HMDB0008923	445468	NA	C00350	NA	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCCCC	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines	NA
+HMDB0008892	PE(15:0/18:0)	HMDB0008892	52924930	NA	C00350	NA	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCC)COP(=O)(O)OCCN	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines	NA
+HMDB0010657	PG(18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z))	HMDB0010657	53480635	NA		NA	CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@H](CO)O)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoglycerols	NA
+HMDB0013409	PC(o-16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	HMDB0013409	16759366	1077065		NA	CCCCCCCCCCCCCCCCOC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphocholines	NA
+HMDB0008924	PE(16:0/16:1(9Z))	HMDB0008924	52924925	NA	C00350	NA	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCC/C=C\CCCCCC	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines	NA
+HMDB0009038	PE(18:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z))	HMDB0009038	53479637	NA	C00350	NA	CCCCCC/C=C\CCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines	NA
+C10385	Plastoquinone 9	HMDB0030130	NA	NA	C10385	NA	CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C/CC1=CC(=O)C(C)=C(C)C1=O	null	null	null	NULL
+HMDB0009147	PE(18:3(6Z,9Z,12Z)/P-16:0)	HMDB0009147	53479681	NA	C00350	NA	CCCCCCCCCCCCCC/C=C\O[C@H](COC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC)COP(=O)(O)OCCN	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines	NA
+HMDB0008834	PE(14:0/20:1(11Z))	HMDB0008834	52924120	NA	C00350	NA	CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCC/C=C\CCCCCCCC	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines	NA
+HMDB0007943	PC(15:0/18:4(6Z,9Z,12Z,15Z))	HMDB0007943	52922318	NA	C00157	NA	CCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphocholines	NA
+HMDB0008326	PC(20:1(11Z)/P-18:1(11Z))	HMDB0008326	53478915	NA	C00157	NA	CCCCCCCC/C=C\CCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)O/C=C\CCCCCCCC/C=C\CCCCCC	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphocholines	NA
+HMDB0008835	PE(14:0/20:2(11Z,14Z))	HMDB0008835	52924121	NA	C00350	NA	CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines	NA
+HMDB0007529	DG(20:4(5Z,8Z,11Z,14Z)/24:1(15Z)/0:0)	HMDB0007529	53478307	NA		NA	CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC	Lipids and lipid-like molecules	Glycerolipids	Diradylglycerols	NA
+HMDB0008845	PE(14:0/22:5(4Z,7Z,10Z,13Z,16Z))	HMDB0008845	53479555	NA	C00350	NA	CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines	NA
+HMDB0008090	PC(18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	HMDB0008090	24778901	NA	C00157	NA	CCCCCC/C=C\CCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC	null	null	null	NA
+HMDB0007963	PC(15:0/P-18:1(11Z))	HMDB0007963	53478665	NA	C00157	NA	CCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)O/C=C\CCCCCCCC/C=C\CCCCCC	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphocholines	NA
+HMDB0007886	PC(14:0/22:0)	HMDB0007886	24778638	NA	C00157	NA	CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphocholines	NA
+HMDB0008852	PE(14:0/P-18:1(11Z))	HMDB0008852	53479561	NA	C00350	NA	CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)O/C=C\CCCCCCCC/C=C\CCCCCC	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines	NA
+HMDB0007940	PC(15:0/18:2(9Z,12Z))	HMDB0007940	24778664	NA	C00157	NA	CCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC	null	null	null	NA
+HMDB0012315	3-O-Sulfogalactosylceramide (d18:1/20:0)	HMDB0012315	24779583	NA	C06125	NA	CCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1C(C([C@H]([C@H](O1)CO)O)OS(=O)(=O)O)O)[C@@H](/C=C/CCCCCCCCCCCCC)O	Lipids and lipid-like molecules	Sphingolipids	Glycosphingolipids	NA
+C06429	Docosahexaenoic acid	HMDB0002183	445580	28125	C06429	3457	CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	map01040 Biosynthesis of unsaturated fatty acids
+HMDB0007941	PC(15:0/18:3(6Z,9Z,12Z))	HMDB0007941	52922314	NA	C00157	NA	CCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphocholines	NA
+HMDB0007989	PC(16:0/22:5(4Z,7Z,10Z,13Z,16Z))	HMDB0007989	24778735	NA	C00157	NA	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphocholines	NA
+HMDB0007921	PC(14:1(9Z)/22:2(13Z,16Z))	HMDB0007921	52922294	NA	C00157	NA	CCCCC/C=C\C/C=C\CCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCC)COP(=O)([O-])OCC[N+](C)(C)C	null	null	null	NA
+HMDB0009776	PE(24:1(15Z)/P-18:1(11Z))	HMDB0009776	53480048	NA	C00350	NA	CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)O/C=C\CCCCCCCC/C=C\CCCCCC	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines	NA
+HMDB0009304	PE(20:2(11Z,14Z)/22:1(13Z))	HMDB0009304	53479733	NA	C00350	NA	CCCCCCCC/C=C\CCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)COP(=O)(O)OCCN	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines	NA
+HMDB0034509	Erythrodiol 3-palmitate	HMDB0034509	NA	NA		NA	CCCCCCCCCCCCCCCC(=O)OC1CCC2(C)C(CCC3(C)C2CC=C2C4CC(C)(C)CCC4(CO)CCC32C)C1(C)C	Lipids and lipid-like molecules	Prenol lipids	Triterpenoids	NA
+HMDB0009413	PE(20:4(5Z,8Z,11Z,14Z)/P-18:1(11Z))	HMDB0009413	53479797	NA	C00350	NA	CCCCCC/C=C\CCCCCCCC/C=C\O[C@H](COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COP(=O)(O)OCCN	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines	NA
+HMDB0008026	PC(16:1(9Z)/24:1(15Z))	HMDB0008026	53478691	NA	C00157	NA	CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCCCC)COP(=O)([O-])OCC[N+](C)(C)C	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphocholines	NA
+HMDB0004835	Galabiosylceramide (d18:1/20:0)	HMDB0004835	20057276	NA	C06126	7094	CCCCCCCCCCCCCCCCCCCC(=O)NC(CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)O)C(/C=C\CCCCCCCCCCCCC)O	Lipids and lipid-like molecules	Sphingolipids	Glycosphingolipids	NA
+HMDB0003288	Selenocysteine	HMDB0003288	25076	16633	C05688	3292	C([C@@H](C(=O)O)N)[SeH]	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	map00450 Selenocompound metabolism; map01100 Metabolic pathways
+C00249	Palmitic acid	HMDB0000220	985	15756	C00249	187	CCCCCCCCCCCCCCCC(=O)O	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	map00061 Fatty acid biosynthesis; map00062 Fatty acid elongation; map00071 Fatty acid degradation; map00073 Cutin, suberine and wax biosynthesis; map01040 Biosynthesis of unsaturated fatty acids; map01060 Biosynthesis of plant secondary metabolites; map01100 Metabolic pathways; map01212 Fatty acid metabolism
+C21484	LysoPE(18:0/0:0)	HMDB0011130	9547068	75036	C21484	NA	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)O	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines	map04216 Ferroptosis
+C13877	PE(16:0/18:1(9Z))	HMDB0008927	5283496	NA	C13877	NA	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCC/C=C\CCCCCCCC	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines	NULL
+HMDB0007935	PC(15:0/16:0)	HMDB0007935	24778655	NA	C00157	NA	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphocholines	NA
+HMDB0009779	PI(16:0/16:1(9Z))	HMDB0009779	NA	NA	C00626	NA	[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O)OC(=O)CCCCCCC\C=C/CCCCCC	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoinositols	NA
+HMDB0000564	PC(16:0/16:0)	HMDB0000564	452110	NA	C00157	5548	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCC	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphocholines	NA
+HMDB0008687	PC(22:5(4Z,7Z,10Z,13Z,16Z)/P-18:1(11Z))	HMDB0008687	53479337	NA	C00157	NA	CCCCCC/C=C\CCCCCCCC/C=C\OC(COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COP(=O)([O-])OCC[N+](C)(C)C	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphocholines	NA
+C07548	Atracurium	HMDB0014870	47319	2914	C07548	NA	C[N+]1(CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)OC)OC)OC)OC)CCC(=O)OCCCCCOC(=O)CC[N+]4(CCC5=CC(=C(C=C5C4CC6=CC(=C(C=C6)OC)OC)OC)OC)C	Organoheterocyclic compounds	Isoquinolines and derivatives	Benzylisoquinolines	map07221 Nicotinic cholinergic receptor antagonists
+HMDB0015560	Thiothixene	HMDB0015560	941651	309829		NA	CN1CCN(CC1)CC/C=C\2/C3=CC=CC=C3SC4=C2C=C(C=C4)S(=O)(=O)N(C)C	Organoheterocyclic compounds	Benzothiopyrans	1-benzothiopyrans	NA
+HMDB0008724	PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/15:0)	HMDB0008724	52923679	NA	C00157	NA	CCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)COP(=O)([O-])OCC[N+](C)(C)C	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphocholines	NA
+HMDB0008258	PC(18:4(6Z,9Z,12Z,15Z)/P-16:0)	HMDB0008258	53478871	NA	C00157	NA	CCCCCCCCCCCCCC/C=C\OC(COC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)COP(=O)([O-])OCC[N+](C)(C)C	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphocholines	NA
+HMDB0007938	PC(15:0/18:1(11Z))	HMDB0007938	24778662	NA	C00157	NA	CCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCC/C=C\CCCCCC	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphocholines	NA
+HMDB0010603	PG(18:0/18:1(11Z))	HMDB0010603	53480610	NA		NA	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCCCC/C=C\CCCCCC	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoglycerols	NA
+HMDB0008588	PC(22:1(13Z)/P-18:1(11Z))	HMDB0008588	53479223	NA	C00157	NA	CCCCCCCC/C=C\CCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)O/C=C\CCCCCCCC/C=C\CCCCCC	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphocholines	NA
+HMDB0008751	PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/P-16:0)	HMDB0008751	53479423	NA	C00157	NA	CCCCCCCCCCCCCC/C=C\OC(COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)COP(=O)([O-])OCC[N+](C)(C)C	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphocholines	NA
+HMDB0008489	PC(20:4(8Z,11Z,14Z,17Z)/P-18:0)	HMDB0008489	53479117	NA	C00157	NA	CCCCCCCCCCCCCCCC/C=C\OC(COC(=O)CCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC)COP(=O)([O-])OCC[N+](C)(C)C	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphocholines	NA
+HMDB0008057	PC(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	HMDB0008057	24778876	NA	C00157	NA	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphocholines	NA
+HMDB0012428	PS(20:3(8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	HMDB0012428	52925729	NA		NA	CCCCC/C=C\C/C=C\C/C=C\CCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoserines	NA
+HMDB0004840	Galabiosylceramide (d18:1/24:0)	HMDB0004840	20057281	NA	C06126	7099	CCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)O)C(/C=C\CCCCCCCCCCCCC)O	Lipids and lipid-like molecules	Sphingolipids	Glycosphingolipids	NA
+HMDB0007930	PC(14:1(9Z)/P-18:1(11Z))	HMDB0007930	53478643	NA	C00157	NA	CCCCCC/C=C\CCCCCCCC/C=C\OC(COC(=O)CCCCCCC/C=C\CCCC)COP(=O)([O-])OCC[N+](C)(C)C	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphocholines	NA
+HMDB0008944	PE(16:0/22:5(4Z,7Z,10Z,13Z,16Z))	HMDB0008944	53479589	NA	C00350	NA	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines	NA
+HMDB0009278	PE(20:1(11Z)/24:1(15Z))	HMDB0009278	53479725	NA	C00350	NA	CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC/C=C\CCCCCCCC)COP(=O)(O)OCCN	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines	NA
+HMDB0012361	PS(16:0/20:4(5Z,8Z,11Z,14Z))	HMDB0012361	24779544	NA		NA	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoserines	NA
+HMDB0008095	PC(18:1(11Z)/P-18:1(11Z))	HMDB0008095	53478761	NA	C00157	NA	CCCCCC/C=C\CCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)O/C=C\CCCCCCCC/C=C\CCCCCC	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphocholines	NA
+HMDB0009408	PE(20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	HMDB0009408	52924662	NA	C00350	NA	CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines	NA
+HMDB0008748	PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	HMDB0008748	24779134	NA	C00157	NA	CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphocholines	NA
+HMDB0009609	PE(22:4(7Z,10Z,13Z,16Z)/P-16:0)	HMDB0009609	53479905	NA	C00350	NA	CCCCCCCCCCCCCC/C=C\O[C@H](COC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COP(=O)(O)OCCN	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines	NA
+HMDB0009710	PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/P-18:1(11Z))	HMDB0009710	53479985	NA	C00350	NA	CCCCCC/C=C\CCCCCCCC/C=C\O[C@H](COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)COP(=O)(O)OCCN	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines	NA
+HMDB0010705	CerP(d18:1/24:1(15Z))	HMDB0010705	5283586	134454		NA	CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)NC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC)O	Lipids and lipid-like molecules	Sphingolipids	Phosphosphingolipids	NA
+HMDB0008900	PE(15:0/20:1(11Z))	HMDB0008900	52924167	NA	C00350	NA	CCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCC/C=C\CCCCCCCC	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines	NA
+HMDB0000593	PC(18:1(9Z)/18:1(9Z))	HMDB0000593	6437081	NA	C00157	5572	CCCCCCCC/C=C\CCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\CCCCCCCC	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphocholines	NA
+HMDB0007946	PC(15:0/20:2(11Z,14Z))	HMDB0007946	52922326	NA	C00157	NA	CCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphocholines	NA
+HMDB0012314	3-O-Sulfogalactosylceramide (d18:1/18:0)	HMDB0012314	5771775	NA	C06125	NA	CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1C(C([C@H]([C@H](O1)CO)O)OS(=O)(=O)O)O)[C@@H](/C=C/CCCCCCCCCCCCC)O	Lipids and lipid-like molecules	Sphingolipids	Glycosphingolipids	NA
+HMDB0007993	PC(16:0/24:1(15Z))	HMDB0007993	24778745	NA	C00157	NA	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC	null	null	null	NA
+HMDB0013469	SM(d18:0/24:1(15Z)(OH))	HMDB0013469	53481791	NA	C00550	NA	CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)([O-])OCC[N+](C)(C)C)NC(=O)CC(CCCCCCCCCCC/C=C\CCCCCCCC)O)O	Lipids and lipid-like molecules	Sphingolipids	Phosphosphingolipids	NA
+HMDB0005779	PE(O-18:1(1Z)/20:4(5Z,8Z,11Z,14Z))	HMDB0005779	9547058	NA	C00350	6548	CCCCCCCCCCCCCCCC/C=C\OC[C@H](COP(=O)(O)OCCN)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines	NA
+HMDB0012394	PS(18:1(9Z)/20:4(5Z,8Z,11Z,14Z))	HMDB0012394	52925988	NA		NA	CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoserines	NA
+HMDB0009311	PE(20:2(11Z,14Z)/24:1(15Z))	HMDB0009311	53479737	NA	C00350	NA	CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)COP(=O)(O)OCCN	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines	NA
+HMDB0007945	PC(15:0/20:1(11Z))	HMDB0007945	52922324	NA	C00157	NA	CCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCC/C=C\CCCCCCCC	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphocholines	NA
+HMDB0000674	PA(16:0/16:0)	HMDB0000674	446066	NA	C00416	5644	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCCCCCCCC	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphates	NA
+HMDB0008092	PC(18:1(11Z)/24:1(15Z))	HMDB0008092	53478755	NA	C00157	NA	CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC/C=C\CCCCCC)COP(=O)([O-])OCC[N+](C)(C)C	null	null	null	NA
+HMDB0007962	PC(15:0/P-18:0)	HMDB0007962	53478663	NA	C00157	NA	CCCCCCCCCCCCCCCC/C=C\OC(COC(=O)CCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphocholines	NA
+HMDB0008359	PC(20:2(11Z,14Z)/P-18:1(11Z))	HMDB0008359	53478939	NA	C00157	NA	CCCCCC/C=C\CCCCCCCC/C=C\OC(COC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)COP(=O)([O-])OCC[N+](C)(C)C	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphocholines	NA
+HMDB0012406	PS(18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	HMDB0012406	52926085	NA		NA	CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoserines	NA
+HMDB0008055	PC(18:0/22:5(4Z,7Z,10Z,13Z,16Z))	HMDB0008055	24778871	NA	C00157	NA	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC	null	null	null	NA
+HMDB0004973	Glucosylceramide (d18:1/20:0)	HMDB0004973	20057356	NA	C01190	7226	CCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)[C@@H](/C=C/CCCCCCCCCCCCC)O	Lipids and lipid-like molecules	Sphingolipids	Glycosphingolipids	NA
+HMDB0004836	Galabiosylceramide (d18:1/22:0)	HMDB0004836	20057277	NA	C06126	7095	CCCCCCCCCCCCCCCCCCCCCC(=O)NC(CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)O)C(/C=C\CCCCCCCCCCCCC)O	Lipids and lipid-like molecules	Sphingolipids	Glycosphingolipids	NA
+HMDB0011207	PC(P-16:0/16:1(9Z))	HMDB0011207	52923882	NA		NA	CCCCCCCCCCCCCC/C=C\OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\CCCCCC	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphocholines	NA
+HMDB0008248	PC(18:4(6Z,9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z))	HMDB0008248	52922927	NA	C00157	NA	CC/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphocholines	NA
+HMDB0008293	PC(20:0/P-18:1(11Z))	HMDB0008293	53478891	NA	C00157	NA	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)O/C=C\CCCCCCCC/C=C\CCCCCC	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphocholines	NA
+HMDB0031185	1,2,4,5-Tetrathiane	HMDB0031185	520409	NA		NA	C1SSCSS1	Organoheterocyclic compounds	Tetrathianes	null	NA
+HMDB0009248	PE(20:0/P-18:1(11Z))	HMDB0009248	53479716	NA	C00350	NA	CCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)O/C=C\CCCCCCCC/C=C\CCCCCC	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines	NA
+HMDB0008843	PE(14:0/22:2(13Z,16Z))	HMDB0008843	52924125	NA	C00350	NA	CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines	NA
+HMDB0007956	PC(15:0/22:5(4Z,7Z,10Z,13Z,16Z))	HMDB0007956	53478653	NA	C00157	NA	CCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphocholines	NA
+HMDB0009097	PE(18:2(9Z,12Z)/20:0)	HMDB0009097	52924370	NA	C00350	NA	CCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)COP(=O)(O)OCCN	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines	NA
+HMDB0008054	PC(18:0/22:4(7Z,10Z,13Z,16Z))	HMDB0008054	24778868	NA	C00157	NA	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphocholines	NA
+HMDB0011702	TG(15:0/16:0/20:4(5Z,8Z,11Z,14Z))	HMDB0011702	53481034	NA		NA	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCC)COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC	Lipids and lipid-like molecules	Glycerolipids	Triradylcglycerols	NA
+HMDB0009545	PE(22:1(13Z)/P-18:1(11Z))	HMDB0009545	53479883	NA	C00350	NA	CCCCCCCC/C=C\CCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)O/C=C\CCCCCCCC/C=C\CCCCCC	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines	NA
+HMDB0010580	PG(16:0/20:4(5Z,8Z,11Z,14Z))	HMDB0010580	24779550	NA		NA	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@H](CO)O)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoglycerols	NA
+HMDB0009279	PE(20:1(11Z)/P-16:0)	HMDB0009279	53479726	NA	C00350	NA	CCCCCCCCCCCCCC/C=C\O[C@H](COC(=O)CCCCCCCCC/C=C\CCCCCCCC)COP(=O)(O)OCCN	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines	NA
+HMDB0012417	PS(18:3(9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	HMDB0012417	52925534	NA		NA	CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoserines	NA
+HMDB0010165	PS(18:0/20:4(8Z,11Z,14Z,17Z))	HMDB0010165	53480354	NA	C02737	NA	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoserines	NA
+HMDB0009573	PE(22:2(13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	HMDB0009573	52924802	NA	C00350	NA	CCCCC/C=C\C/C=C\CCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines	NA
+HMDB0009016	PE(18:0/P-18:0)	HMDB0009016	53479615	NA	C00350	NA	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)O/C=C\CCCCCCCCCCCCCCCC	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines	NA
+HMDB0009281	PE(20:1(11Z)/P-18:1(11Z))	HMDB0009281	53479728	NA	C00350	NA	CCCCCCCC/C=C\CCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)O/C=C\CCCCCCCC/C=C\CCCCCC	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines	NA
+HMDB0004838	Galabiosylceramide (d18:1/26:1(17Z))	HMDB0004838	20057279	NA	C06126	7097	CCCCCCCCCCCCC/C=C\C(C(CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)O)NC(=O)CCCCCCCCCCCCCCC/C=C\CCCCCCCC)O	Lipids and lipid-like molecules	Sphingolipids	Glycosphingolipids	NA
+HMDB0013451	PC(o-22:1(13Z)/20:4(8Z,11Z,14Z,17Z))	HMDB0013451	53481757	NA		NA	CCCCCCCC/C=C\CCCCCCCCCCCCOC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphocholines	NA
+HMDB0012107	SM(d18:1/24:1(15Z))	HMDB0012107	44260126	17636	C00550	NA	CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)([O-])OCC[N+](C)(C)C)NC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC)O	Lipids and lipid-like molecules	Sphingolipids	Phosphosphingolipids	NA
+HMDB0009544	PE(22:1(13Z)/P-18:0)	HMDB0009544	53479882	NA	C00350	NA	CCCCCCCCCCCCCCCC/C=C\O[C@H](COC(=O)CCCCCCCCCCC/C=C\CCCCCCCC)COP(=O)(O)OCCN	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines	NA
+HMDB0005391	TG(16:0/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z))	HMDB0005391	9544362	NA	C00422	NA	CCCCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC	Lipids and lipid-like molecules	Glycerolipids	Triradylcglycerols	NA
+C00430	5-Aminolevulinic acid	HMDB0001149	137	17549	C00430	6037	C(CC(=O)O)C(=O)CN	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	map00260 Glycine, serine and threonine metabolism; map00860 Porphyrin and chlorophyll metabolism; map01060 Biosynthesis of plant secondary metabolites; map01100 Metabolic pathways; map01110 Biosynthesis of secondary metabolites; map01120 Microbial metabolism in diverse environments; map02010 ABC transporters
+HMDB0028810	Glutaminylvaline	HMDB0028810	57262456	NA		NA	CC(C)[C@@H](C(=O)O)NC(=O)[C@H](CCC(=O)N)N	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	NA
+HMDB0000709	L-Cysteinylglycine disulfide	HMDB0000709	22833544	89930		5677	C([C@@H](C(=O)O)N)SSCC(C(=O)NCC(=O)O)N	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	NA
+C11736	Floxuridine	HMDB0014467	5790	60761	C11736	NA	C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)F)CO)O	Nucleosides, nucleotides, and analogues	Pyrimidine nucleosides	Pyrimidine 2'-deoxyribonucleosides	map00983 Drug metabolism - other enzymes
+C00128	Cytidine monophosphate N-acetylneuraminic acid	HMDB0001176	448209	16556	C00128	6057	CC(=O)N[C@@H]1[C@H](C[C@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=NC3=O)N)O)O)O	Nucleosides, nucleotides, and analogues	Pyrimidine nucleotides	Pyrimidine nucleotide sugars	map00520 Amino sugar and nucleotide sugar metabolism; map01100 Metabolic pathways
+C03451	S-Lactoylglutathione	HMDB0001066	440018	15694	C03451	5979	C[C@H](C(=O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)O	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	map00620 Pyruvate metabolism
+HMDB0028712	Arginyl-Isoleucine	HMDB0028712	NA	NA		NA	CCC(C)C(NC(=O)C(N)CCCNC(N)=N)C(O)=O	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	NA
+C00884	Homocarnosine	HMDB0000745	10243361	491179	C00884	270	C1=C(NC=N1)C[C@@H](C(=O)O)NC(=O)CCCN	Organic acids and derivatives	Peptidomimetics	Hybrid peptides	map00330 Arginine and proline metabolism
+C00207	Acetone	HMDB0001659	180	15347	C00207	3745	CC(=O)C	Organic oxygen compounds	Organooxygen compounds	Carbonyl compounds	map00072 Synthesis and degradation of ketone bodies; map00640 Propanoate metabolism; map01100 Metabolic pathways
+C00178	Thymine	HMDB0000262	1135	17821	C00178	290	CC1=CNC(=O)NC1=O	Organoheterocyclic compounds	Diazines	Pyrimidines and pyrimidine derivatives	map00240 Pyrimidine metabolism; map01100 Metabolic pathways
+C00127	Oxidized glutathione	HMDB0003337	975	17858	C00127	6893	C(CC(=O)NC(CSSCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)C(=O)NCC(=O)O)C(C(=O)O)N	null	null	null	map00480 Glutathione metabolism; map04216 Ferroptosis; map04918 Thyroid hormone synthesis
+C08567	Prebetanin	HMDB0029411	4481056	NA	C08567	NA	C1C(NC(=CC1=CC=[N+]2C(CC3=CC(=C(C=C32)O)OC4C(C(C(C(O4)COS(=O)(=O)[O-])O)O)O)C(=O)O)C(=O)O)C(=O)O	null	null	null	NULL
+C04148	Alpha-N-Phenylacetyl-L-glutamine	HMDB0006344	92258	17884	C04148	NA	C1=CC=C(C=C1)CC(=O)N[C@@H](CCC(=O)N)C(=O)O	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	map00360 Phenylalanine metabolism
+C06843	Benazepril	HMDB0014682	5362124	3011	C06843	NA	CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@H]2CCC3=CC=CC=C3N(C2=O)CC(=O)O	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	NULL
+HMDB0002067	O-b-D-Gal-(1->3)-O-[O-b-D-Gal-(1->4)-2-(acetylamino)-2-deoxy-b-D-Glc-(1->6)]-2-(acetylamino)-2-deoxy- D-Galactose	HMDB0002067	22833581	NA		NA	CC(=O)N[C@@H]1[C@H](C([C@H](O[C@H]1OC[C@H]([C@@H]([C@@H](C(C=O)NC(=O)C)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)O)CO)O[C@H]3[C@@H](C(C([C@H](O3)CO)O)O)O)O	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates	NA
+C08934	Camellidin II	HMDB0034925	NA	NA	C08934	NA	CC1(C)CCC2(O)C(C1)C1=CCC3C4(C)CCC(OC5OC(C(OC6OC(CO)C(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(O)C5OC5OC(CO)C(O)C(O)C5O)C(O)=O)C(C)(C)C4CCC3(C)C1(C)CC2=O	null	null	null	NULL
+C03492	D-4'-Phosphopantothenate	HMDB0001016	131	15905	C03492	3427	CC(C)(COP(=O)(O)O)C(C(=O)NCCC(=O)O)O	null	null	null	map00410 beta-Alanine metabolism; map00770 Pantothenate and CoA biosynthesis; map01100 Metabolic pathways
+C02355	Uridine 2',3'-cyclic phosphate 	HMDB0011640	439715	28637	C02355	NA	C1=CN(C(=O)NC1=O)[C@H]2[C@H]3[C@@H]([C@H](O2)CO)OP(=O)(O3)O	Nucleosides, nucleotides, and analogues	Pyrimidine nucleotides	Cyclic pyrimidine nucleotides	map00240 Pyrimidine metabolism
+C05175	6,7,12b,13e-Tetrahydro-4H-bis[1,3]benzodioxolo[5,6-a:4',5'-g]quinolizine	METPA0563	NA	NA	C05175	NA	NA	null	null	null	map00950 Isoquinoline alkaloid biosynthesis; map01100 Metabolic pathways; map01110 Biosynthesis of secondary metabolites
+HMDB0033709	Desglucocoroloside	HMDB0033709	15559187	NA		NA	CC1C(C(CC(O1)OC2CCC3(C(C2)CCC4C3CCC5(C4(CCC5C6=CC(=O)OC6)O)C)C)O)O	Lipids and lipid-like molecules	Steroids and steroid derivatives	Steroid lactones	NA
+C00020	Adenosine monophosphate	HMDB0000045	6083	16027	C00020	5111	C1=NC2=C(C(=N1)N)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O	Nucleosides, nucleotides, and analogues	Purine nucleotides	Purine ribonucleotides	map00230 Purine metabolism; map00908 Zeatin biosynthesis; map01060 Biosynthesis of plant secondary metabolites; map01065 Biosynthesis of alkaloids derived from histidine and purine; map01070 Biosynthesis of plant hormones; map01100 Metabolic pathways; map01110 Biosynthesis of secondary metabolites; map01130 Biosynthesis of antibiotics; map01523 Antifolate resistance; map04022 cGMP-PKG signaling pathway; map04024 cAMP signaling pathway; map04068 FoxO signaling pathway; map04150 mTOR signaling pathway; map04151 PI3K-Akt signaling pathway; map04152 AMPK signaling pathway; map04211 Longevity regulating pathway; map04740 Olfactory transduction; map04742 Taste transduction; map04923 Regulation of lipolysis in adipocytes; map04924 Renin secretion; map04925 Aldosterone synthesis and secretion; map04927 Cortisol synthesis and secretion; map04928 Parathyroid hormone synthesis, secretion and action; map04934 Cushing syndrome; map05012 Parkinson disease; map05032 Morphine addiction
+C09286	Absinthin	HMDB0035742	348165	2366	C09286	NA	CC1C2CCC(C3C4C5C=C(C6(C4C(=C3C2OC1=O)C)C5C(CCC7C6OC(=O)C7C)(C)O)C)(C)O	null	null	null	NULL
+HMDB0011496	LysoPE(0:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	HMDB0011496	53480945	72749		NA	CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O[C@H](CO)COP(=O)(O)OCCN	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines	NA
+HMDB0035344	(3b,16a,20R)-3,16,20,22,25-Pentahydroxy-5-cucurbiten-11-one 3-[rhamnosyl-(1->4)-[glucosyl-(1->6)]-glucoside]	HMDB0035344	NA	NA		NA	CC1OC(OC2C(COC3OC(CO)C(O)C(O)C3O)OC(OC3CCC4C(=CCC5C6(C)CC(O)C(C(C)(O)C(O)CCC(C)(C)O)C6(C)CC(=O)C45C)C3(C)C)C(O)C2O)C(O)C(O)C1O	Lipids and lipid-like molecules	Steroids and steroid derivatives	Steroidal glycosides	NA
+HMDB0033350	Brassinin	HMDB0033350	3035211	38119		NA	CSC(=S)NCC1=CNC2=CC=CC=C21	Organoheterocyclic compounds	Indoles and derivatives	Indoles	NA
+HMDB0012993	Leukotriene C5	HMDB0012993	53481570	NA		NA	CC/C=C\C/C=C\C/C=C\C=C\C=C\[C@H]([C@H](CCCC(=O)O)O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@H](C(=O)O)N	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	NA
+C07129	Terbutaline	HMDB0015009	5403	683322	C07129	NA	CC(C)(C)NCC(C1=CC(=CC(=C1)O)O)O	Benzenoids	Phenols	Benzenediols	NULL
+C00489	Glutaric acid	HMDB0000661	743	17859	C00489	3254	C(CC(=O)O)CC(=O)O	Organic acids and derivatives	Carboxylic acids and derivatives	Dicarboxylic acids and derivatives	map00071 Fatty acid degradation; map00310 Lysine degradation; map01120 Microbial metabolism in diverse environments
+C00147	Adenine	HMDB0000034	190	16708	C00147	85	C1=NC2=C(N1)C(=NC=N2)N	Organoheterocyclic compounds	Imidazopyrimidines	Purines and purine derivatives	map00230 Purine metabolism; map00908 Zeatin biosynthesis; map01100 Metabolic pathways
+HMDB0030542	Neohesperidin dihydrochalcone	HMDB0030542	4453	NA		NA	CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C(C(=C3)O)C(=O)CCC4=CC(=C(C=C4)OC)O)O)CO)O)O)O)O)O	Phenylpropanoids and polyketides	Flavonoids	Flavonoid glycosides	NA
+HMDB0030465	Mocimycin	HMDB0030465	NA	NA		NA	CCC(C(=O)NC\C=C/C=C(\C)C(OC)C(C)C1OC(\C=C/C=C/C=C(/C)C(=O)C2=C(O)C=CNC2=O)C(O)C1O)C1(O)OC(\C=C\C=C/C)C(C)(C)C(O)C1O	Organooxygen compounds	Carbohydrates and carbohydrate conjugates	Glycosyl compounds	NA
+C00262	Hypoxanthine	HMDB0000157	790	17368	C00262	83	C1=NC2=C(N1)C(=O)N=CN2	Organoheterocyclic compounds	Imidazopyrimidines	Purines and purine derivatives	map00230 Purine metabolism; map01100 Metabolic pathways
+C00387	Guanosine	HMDB0000133	6802	16750	C00387	87	C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)NC(=NC2=O)N	Nucleosides, nucleotides, and analogues	Purine nucleosides	null	map00230 Purine metabolism; map01100 Metabolic pathways
+C08727	Petunidin	HMDB0003173	73386	NA	C08727	3447	COC1=CC(=CC(=C1O)O)C2=C(C=C3C(=CC(=CC3=[O+]2)O)O)O.[Cl-]	null	null	null	NULL
+HMDB0031987	Sulforhodamine B	HMDB0031987	65191	52101		NA	CCN(CC)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](CC)CC)C=C3O2)C4=C(C=C(C=C4)S(=O)(=O)O)S(=O)(=O)[O-]	Organoheterocyclic compounds	Benzopyrans	1-benzopyrans	NA
+HMDB0010395	LysoPC(20:4(5Z,8Z,11Z,14Z))	HMDB0010395	24779476	NA	C04230	NA	CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)O	null	null	null	NA
+HMDB0002581	Taurocholic acid 3-sulfate	HMDB0002581	53477754	NA		6717	C[C@H](CCC(=O)NCCS(=O)(=O)O)C1CCC2[C@@]1([C@H](CC3C2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)OS(=O)(=O)O)C)O)O)C	Lipids and lipid-like molecules	Steroids and steroid derivatives	Bile acids, alcohols and derivatives	NA
+HMDB0001004	Oxoamide	HMDB0001004	436	NA		5934	CNC(=O)CCC(=O)C1=CN=CC=C1	Organic oxygen compounds	Organooxygen compounds	Carbonyl compounds	NA
+C21730	Epsilon-(gamma-Glutamyl)-lysine	HMDB0003869	7015684	88494	C21730	NA	C(CCNC(=O)CC[C@@H](C(=O)[O-])[NH3+])C[C@@H](C(=O)[O-])[NH3+]	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	NULL
+HMDB0028990	Phenylalanyl-Asparagine	HMDB0028990	NA	NA		NA	NC(CC1=CC=CC=C1)C(=O)NC(CC(N)=O)C(O)=O	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	NA
+HMDB0029100	Tyrosyl-Asparagine	HMDB0029100	NA	NA		NA	NC(CC1=CC=C(O)C=C1)C(=O)NC(CC(N)=O)C(O)=O	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	NA
+HMDB0030158	Austalide L	HMDB0030158	NA	NA		NA	COC1=C2C(=O)OCC2=C(C)C2=C1CC1C(C)(CCC3(O)C(C)(C)C(=O)CCC13C)O2	Phenylpropanoids and polyketides	Isoflavonoids	Isoflavans	NA
+C06572	Nystatin	HMDB0014784	11953884	7660	C06572	NA	C[C@@H]1[C@H]([C@@H]([C@@H](C(O1)OC\2CC(C(C(CC(=O)CC(C(CCC(CC(CC(CC(=O)OC(C(C(C(/C=C/C=C/CC/C=C/C=C/C=C/C=C2)C)O)C)C)O)O)O)O)O)O)C(=O)O)O)O)N)O	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates	NULL
+C01179	4-Hydroxyphenylpyruvic acid	HMDB0000707	979	15999	C01179	5675	C1=CC(=CC=C1CC(=O)C(=O)O)O	Benzenoids	Benzene and substituted derivatives	Phenylpyruvic acid derivatives	map00130 Ubiquinone and other terpenoid-quinone biosynthesis; map00261 Monobactam biosynthesis; map00350 Tyrosine metabolism; map00400 Phenylalanine, tyrosine and tryptophan biosynthesis; map00401 Novobiocin biosynthesis; map00950 Isoquinoline alkaloid biosynthesis; map01055 Biosynthesis of vancomycin group antibiotics; map01060 Biosynthesis of plant secondary metabolites; map01063 Biosynthesis of alkaloids derived from shikimate pathway; map01100 Metabolic pathways; map01110 Biosynthesis of secondary metabolites; map01130 Biosynthesis of antibiotics; map01210 2-Oxocarboxylic acid metabolism; map01230 Biosynthesis of amino acids
+C00942	Cyclic GMP	HMDB0001314	24316	16356	C00942	6152	C1[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C3NC(=NC4=O)N)O)OP(=O)(O1)O	Nucleosides, nucleotides, and analogues	Purine nucleotides	Cyclic purine nucleotides	map00230 Purine metabolism; map04022 cGMP-PKG signaling pathway; map04270 Vascular smooth muscle contraction; map04540 Gap junction; map04611 Platelet activation; map04713 Circadian entrainment; map04714 Thermogenesis; map04730 Long-term depression; map04740 Olfactory transduction; map04744 Phototransduction; map04921 Oxytocin signaling pathway; map04923 Regulation of lipolysis in adipocytes; map04924 Renin secretion; map04925 Aldosterone synthesis and secretion; map04970 Salivary secretion; map04976 Bile secretion
+C07547	Tubocurarine	HMDB0015330	6000	9774	C07547	NA	CN1CCC2=CC(=C3C=C2[C@@H]1CC4=CC=C(C=C4)OC5=C6[C@@H](CC7=CC(=C(C=C7)O)O3)[N+](CCC6=CC(=C5O)OC)(C)C)OC	Organic oxygen compounds	Organooxygen compounds	Ethers	map01063 Biosynthesis of alkaloids derived from shikimate pathway; map07221 Nicotinic cholinergic receptor antagonists
+C04858	Apiin	HMDB0030843	5840046	15932	C04858	NA	C1C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC=C(C=C5)O)O)CO)O)O)O)(CO)O	null	null	null	map00944 Flavone and flavonol biosynthesis
+HMDB0028690	Alanyl-Isoleucine	HMDB0028690	NA	NA		NA	CCC(C)C(NC(=O)C(C)N)C(O)=O	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	NA
+HMDB0030809	(2R,3S)-Piscidic acid	HMDB0030809	120693	997963		NA	C1=CC(=CC=C1CC(C(C(=O)O)O)(C(=O)O)O)O	Phenylpropanoids and polyketides	Phenylpropanoic acids	null	NA
+C04931	Argatroban	HMDB0014423	152951	NA	C04931	NA	C[C@@H]1CCN([C@H](C1)C(=O)O)C(=O)[C@H](CCCN=C(N)N)NS(=O)(=O)C2=CC=CC3=C2NC[C@@H](C3)C	null	null	null	NULL
+HMDB0014615	Fluoxetine	HMDB0014615	3386	5118		NA	CNCCC(C1=CC=CC=C1)OC2=CC=C(C=C2)C(F)(F)F	Benzenoids	Benzene and substituted derivatives	Trifluoromethylbenzenes	NA
+HMDB0013864	CGP71422	HMDB0013864	NA	NA		NA	CC1=C(NC2=[NH+]C=CC(=N2)C2=C[N-][CH]C=C2)C=C(NC(=O)C2=CC=C(CN3CCN(C)(=O)CC3)C=C2)C=C1	Benzenoids	Benzene and substituted derivatives	Anilides	NA
+HMDB0031615	Dioctyltin isooctylthioglycolate	HMDB0031615	15978303	NA		NA	CCCCCCCC[Sn+2]CCCCCCCC.CCCCC(CC)COC(=O)C[S-].CCCCC(CC)COC(=O)C[S-]	Organic acids and derivatives	Carboxylic acids and derivatives	Dicarboxylic acids and derivatives	NA
+C15700	gamma-Glutamyl-gamma-aminobutyraldehyde	METPA1197	NA	NA	C15700	NA	NA	null	null	null	map00330 Arginine and proline metabolism; map01100 Metabolic pathways
+HMDB0013016	Neuromedin B (1-3)	HMDB0013016	53481577	NA		NA	CC(C)C[C@H](C(=O)O)NC(=O)[C@H](CC(=O)N)NC(=O)CN	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	NA
+C07864	Rabeprazole	HMDB0005026	5029	8768	C07864	NA	CC1=C(C=CN=C1CS(=O)C2=NC3=CC=CC=C3N2)OCCCOC	Organoheterocyclic compounds	Benzimidazoles	Sulfinylbenzimidazoles	NULL
+HMDB0028699	Alanyl-Tyrosine	HMDB0028699	NA	NA		NA	CC(N)C(=O)NC(CC1=CC=C(O)C=C1)C(O)=O	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	NA
+HMDB0031689	1-Hexanol arabinosylglucoside	HMDB0031689	NA	NA		NA	CCCCCCOC1OC(COC2OC(CO)C(O)C2O)C(O)C(O)C1O	Lipids and lipid-like molecules	Fatty Acyls	Fatty acyl glycosides	NA
+C09926	Dihydromethysticin	HMDB0030791	229852	1034670	C09926	NA	COC1=CC(=O)OC(C1)CCC2=CC3=C(C=C2)OCO3	null	null	null	NULL
+HMDB0031139	Chinenoside V	HMDB0031139	NA	NA		NA	CC(COC1OC(CO)C(O)C(O)C1O)CC(CO)C1=C(C)C2C(CC3C4CC(=O)C5CC(CCC5(C)C4CCC23C)OC2OC(COC3OCC(O)C(O)C3O)C(O)C(O)C2O)O1	Lipids and lipid-like molecules	Steroids and steroid derivatives	Steroidal glycosides	NA
+C08568	Vulgaxanthin I	HMDB0029840	22524619	NA	C08568	NA	C\1C(NC(=C/C1=C\C=[NH+]\C(CCC(=O)N)C(=O)[O-])C(=O)O)C(=O)O	null	null	null	NULL
+C16568	Homotrypanothione disulfide	METPA1348	NA	NA	C16568	NA	NA	null	null	null	map00480 Glutathione metabolism
+C12753	Troleandomycin	HMDB0015448	202225	659106	C12753	NA	C[C@@H]1C[C@@H]([C@H]([C@@H](O1)O[C@H]2[C@H](C[C@@]3(CO3)C(=O)[C@@H]([C@H]([C@H]([C@H](OC(=O)[C@@H]([C@H]([C@@H]2C)O[C@H]4C[C@@H]([C@H]([C@@H](O4)C)OC(=O)C)OC)C)C)C)OC(=O)C)C)C)OC(=O)C)N(C)C	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates	NULL
+C07943	Entacapone	HMDB0012226	5281081	4798	C07943	NA	CCN(CC)C(=O)/C(=C/C1=CC(=C(C(=C1)O)O)[N+](=O)[O-])/C#N	Phenylpropanoids and polyketides	Cinnamic acids and derivatives	Hydroxycinnamic acids and derivatives	NULL
+HMDB0030975	Corchoionoside B	HMDB0030975	NA	NA		NA	CC1=CC(=O)CC(C)(C)C1(O)\C=C\C(=O)COC1OC(CO)C(O)C(O)C1O	Lipids and lipid-like molecules	Fatty Acyls	Fatty acyl glycosides	NA
+C05122	Taurocholic acid	HMDB0000036	440567	28865	C05122	5104	CC(CCC(=O)NCCS(=O)(=O)O)C1CCC2C1([C@H](CC3C2[C@@H](C[C@H]4C3(CC[C@H](C4)O)C)O)O)C	null	null	null	map00120 Primary bile acid biosynthesis; map00121 Secondary bile acid biosynthesis; map00430 Taurine and hypotaurine metabolism; map01100 Metabolic pathways; map04976 Bile secretion; map04979 Cholesterol metabolism
+HMDB0010351	11-beta-Hydroxyandrosterone-3-glucuronide	HMDB0010351	53480452	NA		NA	C[C@]12CC[C@H](C[C@@H]1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CCC4=O)C)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O	Lipids and lipid-like molecules	Steroids and steroid derivatives	Steroidal glycosides	NA
+C00385	Xanthine	HMDB0000292	1188	17712	C00385	82	C1=NC2=C(N1)C(=O)NC(=O)N2	Organoheterocyclic compounds	Imidazopyrimidines	Purines and purine derivatives	map00230 Purine metabolism; map00232 Caffeine metabolism; map01060 Biosynthesis of plant secondary metabolites; map01065 Biosynthesis of alkaloids derived from histidine and purine; map01100 Metabolic pathways; map01110 Biosynthesis of secondary metabolites; map01120 Microbial metabolism in diverse environments
+HMDB0029140	Valyl-Valine	HMDB0029140	NA	NA		NA	CC(C)C(N)C(=O)NC(C(C)C)C(O)=O	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	NA
+C01762	Xanthosine	HMDB0000299	64959	18107	C01762	3408	C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)NC(=O)NC2=O	Nucleosides, nucleotides, and analogues	Purine nucleosides	null	map00230 Purine metabolism; map00232 Caffeine metabolism; map01065 Biosynthesis of alkaloids derived from histidine and purine; map01100 Metabolic pathways; map01110 Biosynthesis of secondary metabolites
+C07874	2-Methylacetophenone	HMDB0032386	11339	NA	C07874	NA	CCCCC(CC)COC(=O)CC(C(=O)OCC(CC)CCCC)S(=O)(=O)O	Lipids and lipid-like molecules	Fatty Acyls	Fatty acid esters	NULL
+C11221	Leucyl-phenylalanine	HMDB0013243	259325	383437	C11221	NA	CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C(=O)O)N	null	null	null	NULL
+HMDB0030736	Capsianoside IV	HMDB0030736	NA	NA		NA	C\C(CC\C=C(/C)C(O)=O)=C/CC\C(C)=C\CCC(C)(OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O)C=C	Lipids and lipid-like molecules	Fatty Acyls	Fatty acyl glycosides	NA
+C12564	Aripiprazole	HMDB0005042	60795	31236	C12564	NA	C1CC(=O)NC2=C1C=CC(=C2)OCCCCN3CCN(CC3)C4=C(C(=CC=C4)Cl)Cl	Organoheterocyclic compounds	Diazinanes	Piperazines	NULL
+C05789	L-Urobilinogen	HMDB0004157	440783	36479	C05789	NA	CCC1C(C(=O)NC1CC2=C(C(=C(N2)CC3=C(C(=C(N3)CC4C(C(C(=O)N4)CC)C)C)CCC(=O)O)CCC(=O)O)C)C	Organoheterocyclic compounds	Tetrapyrroles and derivatives	Bilirubins	map00860 Porphyrin and chlorophyll metabolism
+HMDB0031023	Achyranthoside D	HMDB0031023	NA	NA		NA	CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(O)C(OC(OCC(O)=O)C(O)C(O)=O)C6OC6OC(CO)C(O)C(O)C6O)C(O)=O)C(C)(C)C5CCC34C)C2C1)C(=O)OC1OC(CO)C(O)C(O)C1O	Lipids and lipid-like molecules	Prenol lipids	Terpene glycosides	NA
+C11169	Sulfathiazole	HMDB0015619	5340	9337	C11169	NA	C1=CC(=CC=C1N)S(=O)(=O)NC2=NC=CS2	Benzenoids	Benzene and substituted derivatives	Benzenesulfonamides	NULL
+HMDB0031025	Betavulgaroside IV	HMDB0031025	53463045	NA		NA	CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OC6C(C(C(C(O6)C(=O)O)O)OC(C(C(=O)O)O)OCC(=O)O)O)C)C)C2C1)C)C(=O)O)C	Lipids and lipid-like molecules	Prenol lipids	Terpene glycosides	NA
+C02678	Dodecanedioic acid	HMDB0000623	12736	4676	C02678	5596	C(CCCCCC(=O)O)CCCCC(=O)O	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	NULL
+HMDB0028703	Arginyl-Arginine	HMDB0028703	NA	NA		NA	NC(CCCNC(N)=N)C(=O)NC(CCCNC(N)=N)C(O)=O	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	NA
+C08187	Cabergoline	HMDB0014393	54746	3286	C08187	NA	CCNC(=O)N(CCCN(C)C)C(=O)[C@@H]1C[C@H]2[C@@H](CC3=CNC4=CC=CC2=C34)N(C1)CC=C	Alkaloids and derivatives	Ergoline and derivatives	Lysergic acids and derivatives	NULL
+C04537	N,N'-Diacetylchitobiosyldiphosphodolichol	HMDB0001196	22833564	NA	C04537	NA	CC(CC/C=C(\C)/CC=C(C)C)CCOP(=O)(O)OP(=O)(O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)NC(=O)O)O)NC(=O)O	null	null	null	NULL
+C07650	Gemcitabine	HMDB0014584	60750	175901	C07650	NA	C1=CN(C(=O)N=C1N)[C@H]2C([C@@H]([C@H](O2)CO)O)(F)F	Nucleosides, nucleotides, and analogues	Pyrimidine nucleosides	Pyrimidine 2'-deoxyribonucleosides	NULL
+HMDB0030630	Rubraflavone C	HMDB0030630	10255010	NA		NA	CC(=CCC/C(=C/CC1=C(OC2=CC(=C(C(=C2C1=O)O)CC=C(C)C)O)C3=C(C=C(C=C3)O)O)/C)C	Phenylpropanoids and polyketides	Flavonoids	Flavones	NA
+HMDB0029030	Prolyl-Valine	HMDB0029030	NA	NA		NA	CC(C)C(NC(=O)C1CCCN1)C(O)=O	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	NA
+HMDB0028734	Asparaginyl-Isoleucine	HMDB0028734	NA	NA		NA	CCC(C)C(NC(=O)C(N)CC(N)=O)C(O)=O	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	NA
+HMDB0035134	Armillaridin	HMDB0035134	NA	NA		NA	COC1=C(Cl)C(C)=C(C(=O)OC2CC3(C)C4CC(C)(C)CC4C=C(C=O)C23O)C(O)=C1	Lipids and lipid-like molecules	Prenol lipids	Sesquiterpenoids	NA
+C01937	Methotrexate	HMDB0014703	126941	44185	C01937	NA	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	map04976 Bile secretion
+C08540	Betanin	HMDB0029408	4480716	NA	C08540	NA	C1C(NC(=CC1=CC=[N+]2C(CC3=CC(=C(C=C32)O)OC4C(C(C(C(O4)CO)O)O)O)C(=O)[O-])C(=O)O)C(=O)O	null	null	null	map00965 Betalain biosynthesis; map01110 Biosynthesis of secondary metabolites
+C00155	Homocysteine	HMDB0000742	778	17230	C00155	3256	C(CS)C(C(=O)O)N	null	null	null	map00270 Cysteine and methionine metabolism; map00920 Sulfur metabolism; map01100 Metabolic pathways; map01110 Biosynthesis of secondary metabolites; map01230 Biosynthesis of amino acids; map01523 Antifolate resistance; map04621 NOD-like receptor signaling pathway
+C00559	Deoxyadenosine	HMDB0000101	13730	17256	C00559	3382	C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2N=CN=C3N)CO)O	Nucleosides, nucleotides, and analogues	Purine nucleosides	Purine 2'-deoxyribonucleosides	map00230 Purine metabolism; map01100 Metabolic pathways
+HMDB0031147	Chlorophyll c	HMDB0031147	NA	NA		NA	CCC1=C(C)/C2=C/C3=C(C=C)C(C)=C(N3)\C=C3/N=C(C(\C=C\C(O)=O)=C3C)C3=C(C(=O)OC)C(O)=C4C(C)=C(\C=C\1/N\2)N=C34	Organoheterocyclic compounds	Tetrapyrroles and derivatives	Porphyrins	NA
+HMDB0011675	DHAP(10:0)	HMDB0011675	53481023	NA		NA	CCCCCCCCCC(=O)OCC(=O)COP(=O)(O)O	Organic oxygen compounds	Organooxygen compounds	Carbonyl compounds	NA
+HMDB0010321	3,17-Androstanediol glucuronide	HMDB0010321	3034755	NA		NA	C[C@]12CC[C@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4O)C)OC(=O)[C@@H]5[C@H]([C@@H]([C@H]([C@@H](O5)O)O)O)O	Lipids and lipid-like molecules	Steroids and steroid derivatives	Steroid esters	NA
+HMDB0031694	Butyl (S)-3-hydroxybutyrate glucoside	HMDB0031694	NA	NA		NA	CCCCOC(=O)CC(C)OC1OC(CO)C(O)C(O)C1O	Lipids and lipid-like molecules	Fatty Acyls	Fatty acyl glycosides	NA
+C00214	Thymidine	HMDB0000273	5789	17748	C00214	3375	CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O	Nucleosides, nucleotides, and analogues	Pyrimidine nucleosides	Pyrimidine 2'-deoxyribonucleosides	map00240 Pyrimidine metabolism; map01100 Metabolic pathways
+HMDB0015543	Pivmecillinam	HMDB0015543	NA	1162842		NA	[H]C(=N[C@@H]1C(=O)N2[C@@H](C(=O)OCOC(=O)C(C)(C)C)C(C)(C)S[C@]12[H])N1CCCCCC1	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	NA
+C15849	Angiotensin IV	HMDB0001038	123814	528953	C15849	NA	CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CN=CN1)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)O)NC(=O)[C@H](CC4=CC=C(C=C4)O)NC(=O)[C@H](C(C)C)N	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	map04614 Renin-angiotensin system
+C02155	Glycylleucine	HMDB0000759	92843	185298	C02155	5727	CC(C)C[C@@H](C(=O)O)NC(=O)CN	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	NULL
+C12283	Saccharin	HMDB0029723	5143	32111	C12283	NA	C1=CC=C2C(=C1)C(=O)NS2(=O)=O	Organoheterocyclic compounds	Benzothiazoles	null	map04742 Taste transduction
+C00669	gamma-Glutamylcysteine	HMDB0001049	123938	17515	C00669	5966	C(CC(=O)N[C@@H](CS)C(=O)O)[C@@H](C(=O)O)N	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	map00480 Glutathione metabolism; map01100 Metabolic pathways; map04216 Ferroptosis
+HMDB0006512	3-Mercaptolactate-cysteine disulfide	HMDB0006512	193536	NA		NA	C([C@@H](C(=O)O)N)SSCC(C(=O)O)O	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	NA
+HMDB0003323	Biotripyrrin-a	HMDB0003323	10298558	NA		6881	CC1=C(/C(=C\C2=C(C(=C(N2)/C=C/3\C(=C(C(=O)N3)C)C=C)C)CCC(=O)O)/NC1=O)CCC(=O)O	null	null	null	NA
+HMDB0029656	Erinacine E	HMDB0029656	NA	NA		NA	CC(C)C1=C2C3CC=C4C5C(OC6OCC(O)(C4O)C(O)C56O)C3(C)CCC2(C)CC1	Lipids and lipid-like molecules	Prenol lipids	Diterpenoids	NA
+HMDB0014729	Fluocinolone Acetonide	HMDB0014729	6215	205252		NA	C[C@]12C[C@@H]([C@]3([C@H]([C@@H]1C[C@@H]4[C@]2(OC(O4)(C)C)C(=O)CO)C[C@@H](C5=CC(=O)C=C[C@@]53C)F)F)O	Lipids and lipid-like molecules	Steroids and steroid derivatives	Hydroxysteroids	NA
+HMDB0031112	Neoacrimarine F	HMDB0031112	NA	NA		NA	COC1=CC2=C(C(O)=C1)C(=O)C1=C(N2C)C(OC2C(O)C(C)(C)OC3=C2C2=C(C=CC(=O)O2)C=C3)=C(O)C=C1	Organoheterocyclic compounds	Quinolines and derivatives	Benzoquinolines	NA
+C00123	L-Leucine	HMDB0000687	6106	15603	C00123	24	CC(C)C[C@@H](C(=O)O)N	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	map00280 Valine, leucine and isoleucine degradation; map00290 Valine, leucine and isoleucine biosynthesis; map00966 Glucosinolate biosynthesis; map00970 Aminoacyl-tRNA biosynthesis; map01060 Biosynthesis of plant secondary metabolites; map01065 Biosynthesis of alkaloids derived from histidine and purine; map01100 Metabolic pathways; map01110 Biosynthesis of secondary metabolites; map01210 2-Oxocarboxylic acid metabolism; map01230 Biosynthesis of amino acids; map02010 ABC transporters; map04150 mTOR signaling pathway; map04974 Protein digestion and absorption; map04978 Mineral absorption; map05230 Central carbon metabolism in cancer
+C01909	Dethiobiotin	HMDB0003581	445027	42280	C01909	3351	C[C@H]1[C@H](NC(=O)N1)CCCCCC(=O)O	null	null	null	map00780 Biotin metabolism; map01100 Metabolic pathways
+C05643	6-Hydroxymelatonin	HMDB0004081	1864	308079	C05643	7013	CC(=O)NCCC1=CNC2=CC(=C(C=C21)OC)O	Organoheterocyclic compounds	Indoles and derivatives	Hydroxyindoles	map00380 Tryptophan metabolism
+C07324	Omeprazole	HMDB0001913	4594	7772	C07324	1632	CC1=CN=C(C(=C1OC)C)CS(=O)C2=NC3=C(N2)C=C(C=C3)OC	Organoheterocyclic compounds	Benzimidazoles	Sulfinylbenzimidazoles	NULL
+C03410	N-Glycolylneuraminic acid	HMDB0000833	123802	62084	C03410	3580	C1[C@@H]([C@H]([C@@H](O[C@@]1(C(=O)O)O)[C@@H]([C@@H](CO)O)O)NC(=O)CO)O	Organooxygen compounds	Carbohydrates and carbohydrate conjugates	Sugar acids and derivatives	map00520 Amino sugar and nucleotide sugar metabolism
+C00931	Porphobilinogen	HMDB0000245	1021	17381	C00931	76	C1=C(C(=C(N1)CN)CC(=O)O)CCC(=O)O	Organic nitrogen compounds	Organonitrogen compounds	Amines	map00860 Porphyrin and chlorophyll metabolism; map01100 Metabolic pathways; map01110 Biosynthesis of secondary metabolites; map01120 Microbial metabolism in diverse environments
+C07053	Isoetharine	HMDB0014366	3762	775164	C07053	NA	CCC(C(C1=CC(=C(C=C1)O)O)O)NC(C)C	Benzenoids	Phenols	Benzenediols	NULL
+C07825	Flumazenil	HMDB0015336	3373	5103	C07825	NA	CCOC(=O)C1=C2CN(C(=O)C3=C(N2C=N1)C=CC(=C3)F)C	Organoheterocyclic compounds	Benzodiazepines	1,4-benzodiazepines	NULL
+HMDB0034871	Spinacoside D	HMDB0034871	NA	NA		NA	CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(O)C(OC(OCC(O)=O)C(O)=O)C6O)C(O)=O)C(C)(C)C5CCC34C)C2C1)C(O)=O	Lipids and lipid-like molecules	Prenol lipids	Terpene glycosides	NA
+C12081	Soyasaponin II	HMDB0034650	NA	NA	C12081	NA	CC1OC(OC2C(O)C(O)COC2OC2C(O)C(O)C(OC2OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)CC(O)C5(C)CCC43C)C2(C)CO)C(O)=O)C(O)C(O)C1O	null	null	null	NULL
+HMDB0034816	Betavulgaroside VIII	HMDB0034816	NA	NA		NA	CC1(C)C(CCC2(C)C1CCC1(C)C2CC=C2C3CC(=C)CCC3(CCC12C)C(=O)OC1OC(CO)C(O)C(O)C1O)OC1OC(C(O)C(OC(OCC(O)=O)C(O)C(O)=O)C1O)C(O)=O	Lipids and lipid-like molecules	Prenol lipids	Terpene glycosides	NA
+C09709	Phytuberin	HMDB0035754	315114	NA	C09709	NA	CC(=O)OC(C)(C)C1CCC2(COC3(C2(C1)OC=C3)C)C	null	null	null	NULL
+HMDB0033063	2,3-Butanediol apiosylglucoside	HMDB0033063	NA	NA		NA	CC(O)C(C)OC1OC(COC2OCC(O)(CO)C2O)C(O)C(O)C1O	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates	NA
+HMDB0012936	Dynorphin B (10-13)	HMDB0012936	53481556	NA		NA	C[C@@H]([C@@H](C(=O)O)NC(=O)[C@@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](CCCCN)N)O	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	NA
+HMDB0015110	Dipyridamole	HMDB0015110	3108	4653		NA	C1CCN(CC1)C2=NC(=NC3=C2N=C(N=C3N4CCCCC4)N(CCO)CCO)N(CCO)CCO	Organic nitrogen compounds	Organonitrogen compounds	Amines	NA
+C08086	Amprenavir	HMDB0014839	65016	40050	C08086	NA	CC(C)CN(C[C@H]([C@H](CC1=CC=CC=C1)NC(=O)O[C@H]2CCOC2)O)S(=O)(=O)C3=CC=C(C=C3)N	Benzenoids	Benzene and substituted derivatives	Benzenesulfonamides	NULL
+HMDB0015653	Lumefantrine	HMDB0015653	6437380	156095		NA	CCCCN(CCCC)CC(C1=C2C3=C(C=C(C=C3)Cl)/C(=C/C4=CC=C(C=C4)Cl)/C2=CC(=C1)Cl)O	Benzenoids	Fluorenes	null	NA
+HMDB0031024	Achyranthoside C	HMDB0031024	NA	NA		NA	CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(O)C(OC(OCC(O)=O)C(O)C(O)=O)C6O)C(O)=O)C(C)(C)C5CCC34C)C2C1)C(=O)OC1OC(CO)C(O)C(O)C1O	Lipids and lipid-like molecules	Prenol lipids	Terpene glycosides	NA
+C07868	Metoclopramide	HMDB0015363	4168	107736	C07868	NA	CCN(CC)CCNC(=O)C1=CC(=C(C=C1OC)N)Cl	Benzenoids	Phenol ethers	Aminophenyl ethers	NULL
+HMDB0029626	5alpha-Ethoxy-6beta-hydroxy-5,6-dihydrophysalin B	HMDB0029626	NA	NA		NA	CCOC12CC=CC(=O)C1(C)C1CCC3(O)C(=O)OC4(C)C5CC6(C)C7C(=O)C(OC347)(OCC6C(=O)O5)C1CC2O	Lipids and lipid-like molecules	Steroids and steroid derivatives	Physalins and derivatives	NA
+C05659	5-Methoxytryptamine	HMDB0004095	1833	2089	C05659	7015	COC1=CC2=C(C=C1)NC=C2CCN	Organoheterocyclic compounds	Indoles and derivatives	Tryptamines and derivatives	map00380 Tryptophan metabolism
+HMDB0005764	Melanostatin	HMDB0005764	92910	259663		NA	CC(C)C[C@@H](C(=O)NCC(=O)N)NC(=O)[C@@H]1CCCN1	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	NA
+C00306	Bradykinin	HMDB0004246	439201	3165	C00306	NA	C1C[C@H](N(C1)C(=O)[C@@H]2CCCN2C(=O)[C@H](CCCN=C(N)N)N)C(=O)NCC(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N[C@@H](CO)C(=O)N4CCC[C@H]4C(=O)N[C@@H](CC5=CC=CC=C5)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	NULL
+HMDB0032341	Isoamyl isothiocyanate	HMDB0032341	79086	NA		NA	CC(C)CCN=C=S	Organosulfur compounds	Isothiocyanates	null	NA
+C01598	Melatonin	HMDB0001389	896	16796	C01598	73	CC(=O)NCCC1=CNC2=C1C=C(C=C2)OC	Organoheterocyclic compounds	Indoles and derivatives	Indoles	map00380 Tryptophan metabolism; map01100 Metabolic pathways; map04080 Neuroactive ligand-receptor interaction; map04713 Circadian entrainment
+HMDB0013075	Spermic acid 2	HMDB0013075	167029	NA		NA	C(CCNCCC(=O)O)CNCCC(=O)O	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	NA
+C05961	6-Keto-prostaglandin F1a	HMDB0002886	5280888	28158	C05961	6782	CCCCC[C@@H](/C=C/[C@H]1[C@@H](C[C@@H]([C@@H]1CC(=O)CCCCC(=O)O)O)O)O	Lipids and lipid-like molecules	Fatty Acyls	Eicosanoids	map00590 Arachidonic acid metabolism; map01100 Metabolic pathways
+C05640	Cinnavalininate	HMDB0004078	114918	NA	C05640	NA	C1=CC(=C2C(=C1)OC3=CC(=O)C(=C(C3=N2)C(=O)O)N)C(=O)O	Organoheterocyclic compounds	Benzoxazines	Phenoxazines	map00380 Tryptophan metabolism
+C00371	Cis-zeatin	HMDB0012204	449093	16522	C00371	NA	C/C(=C\CNC1=NC=NC2=C1NC=N2)/CO	Organoheterocyclic compounds	Imidazopyrimidines	Purines and purine derivatives	map00908 Zeatin biosynthesis; map01060 Biosynthesis of plant secondary metabolites; map01070 Biosynthesis of plant hormones; map01100 Metabolic pathways; map01110 Biosynthesis of secondary metabolites; map04075 Plant hormone signal transduction
+HMDB0028830	Glutamyltryptophan	HMDB0028830	100094	73512		NA	C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)O)NC(=O)[C@H](CCC(=O)O)N	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	NA
+C04300	Estradiol-17alpha 3-D-glucuronoside	HMDB0010349	11988264	15822	C04300	NA	C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@H]2O)CCC4=C3C=CC(=C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O	null	null	null	NULL
+HMDB0033492	Pectenotoxin 3	HMDB0033492	NA	NA		NA	CC1CCOC(O)(C2CC3OC(=O)C(C)C4CCCC5(CCC(O5)C(O)C5(C)CC(=O)C(O5)C5CC6(CCC(O6)(O5)C5CCC(C)(CC(C)\C=C(/C)\C=C\C3O2)O5)C=O)O4)C1O	Phenylpropanoids and polyketides	Macrolides and analogues	Pectenotoxins and derivatives	NA
+HMDB0000682	Indoxyl sulfate	HMDB0000682	10258	43355		524	C1=CC=C2C(=C1)C(=CN2)OS(=O)(=O)O	Organic acids and derivatives	Organic sulfuric acids and derivatives	Arylsulfates	NA
+HMDB0011499	LysoPE(0:0/24:6(6Z,9Z,12Z,15Z,18Z,21Z))	HMDB0011499	53480948	NA		NA	CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)O[C@H](CO)COP(=O)(O)OCCN	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines	NA
+HMDB0029625	3-O-Protocatechuoylceanothic acid	HMDB0029625	NA	NA		NA	CC(=C)C1CCC2(CCC3(C)C(CCC4C5(C)C(CCC34C)C(C)(C)C(OC(=O)C3=CC(O)=C(O)C=C3)C5C(O)=O)C12)C(O)=O	Lipids and lipid-like molecules	Prenol lipids	Triterpenoids	NA
+C08033	Dalfopristin	HMDB0015566	21943991	NA	C08033	NA	CCN(CC)CCS(=O)(=O)[C@@H]1CCN2C1C(=O)O[C@@H]([C@@H](/C=C\C(=O)NC/C=C\C(=C/[C@H](CC(=O)CC3=NC(=CO3)C2=O)O)\C)C)C(C)C	null	null	null	NULL
+HMDB0000912	Succinyladenosine	HMDB0000912	20849086	71169		5867	C1=NC2=C(C(=N1)N[C@@H](CC(=O)O)C(=O)O)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O	Nucleosides, nucleotides, and analogues	Purine nucleosides	null	NA
+HMDB0008823	PE(14:0/15:0)	HMDB0008823	24178114	NA	C00350	NA	CCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCC)COP(=O)(O)OCCN	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines	NA
+HMDB0029651	Phlorisobutyrophenone 2-glucoside	HMDB0029651	NA	NA		NA	CC(C)C(=O)C1=C(OC2OC(CO)C(O)C(O)C2O)C=C(O)C=C1O	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates	NA
+C01737	Neomycin	HMDB0015129	8378	7508	C01737	NA	C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CN)O)O)N)O[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O[C@@H]4[C@@H]([C@H]([C@@H]([C@@H](O4)CN)O)O)N)O)O)N	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates	map00524 Neomycin, kanamycin and gentamicin biosynthesis; map01130 Biosynthesis of antibiotics
+HMDB0028985	Methionyl-Tyrosine	HMDB0028985	NA	NA		NA	CSCCC(N)C(=O)NC(CC1=CC=C(O)C=C1)C(O)=O	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	NA
+HMDB0028809	Glutaminyltyrosine	HMDB0028809	9972600	NA		NA	C1=CC(=CC=C1C[C@@H](C(=O)O)NC(=O)[C@H](CCC(=O)N)N)O	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	NA
+C11899	10-Deacetyl-2-debenzoylbaccatin III	METPA1069	NA	NA	C11899	NA	NA	null	null	null	map00904 Diterpenoid biosynthesis; map01100 Metabolic pathways; map01110 Biosynthesis of secondary metabolites
+C01443	Ouabain	HMDB0015224	439501	472805	C01443	NA	C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2C[C@H]([C@@]3([C@@H]4[C@@H](CC[C@@]3(C2)O)[C@]5(CC[C@@H]([C@]5(C[C@H]4O)C)C6=CC(=O)OC6)O)CO)O)O)O)O	Lipids and lipid-like molecules	Steroids and steroid derivatives	Steroid lactones	map04976 Bile secretion
+C07482	Montelukast	HMDB0014614	5281040	50730	C07482	NA	CC(C)(C1=CC=CC=C1CC[C@H](C2=CC=CC(=C2)/C=C/C3=NC4=C(C=CC(=C4)Cl)C=C3)SCC5(CC5)CC(=O)O)O	Phenylpropanoids and polyketides	Linear 1,3-diarylpropanoids	null	NULL
+C04486	4-[2,2'-Bithiophen-5-yl]-3-butyn-1-ol	HMDB0034453	440357	16887	C04486	NA	C1=CSC(=C1)C2=CC=C(S2)C#CCCO	Organoheterocyclic compounds	Bi- and oligothiophenes	null	NULL
+HMDB0030993	5-Nonyltetrahydro-2-oxo-3-furancarboxylic acid	HMDB0030993	NA	NA		NA	CCCCCCCCCC1CC(C(O)=O)C(=O)O1	Organoheterocyclic compounds	Lactones	Gamma butyrolactones	NA
+HMDB0032676	Chloropanaxydiol	HMDB0032676	130756	NA		NA	CCCCCCCC1C(O1)CC#CC#CC(C(CCl)O)O	Organohalogen compounds	Halohydrins	Chlorohydrins	NA
+HMDB0013852	Sulfamethoxazole N4-hydroxylamine	HMDB0013852	114821	53016		NA	CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NO	Benzenoids	Benzene and substituted derivatives	Benzenesulfonamides	NA
+C06935	Cyproheptadine	HMDB0014578	2913	4046	C06935	NA	CN1CCC(=C2C3=CC=CC=C3C=CC4=CC=CC=C42)CC1	Benzenoids	Dibenzocycloheptenes	null	NULL
+HMDB0029177	3'-O-Methyl-(-)-epicatechin-7-O-sulphate	HMDB0029177	NA	NA		NA	COC1=CC(=CC=C1O)[C@H]1OC2=C(C[C@H]1O)C(O)=CC(OS([O-])=O)=C2	Phenylpropanoids and polyketides	Flavonoids	Flavans	NA
+HMDB0030462	Hordatine A glucoside	HMDB0030462	NA	NA		NA	NC(=N)NCCCCNC(=O)\C=C/C1=CC(O)=C2OC(C(C(=O)NCCCCNC(N)=N)C2=C1)C1=CC=C(OC2OC(CO)C(O)C(O)C2O)C=C1	Phenylpropanoids and polyketides	2-arylbenzofuran flavonoids	null	NA
+HMDB0030206	Jubanine B	HMDB0030206	NA	NA		NA	COC1=CC=C2OC3CCN(C3\C(O)=N/C(CC3=CC=CC=C3)\C(O)=N/C=C/C1=C2)C(=O)C(CC1=CC=CC=C1)\N=C(/O)C(CC1=CC=CC=C1)N(C)C	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	NA
+HMDB0014098	5'-Hydroxytenoxicam	HMDB0014098	NA	NA		NA	CN1\C(=C(/O)NC2=CC=C(O)C=N2)C(=O)C2=C(C=CS2)S1(=O)=O	Organoheterocyclic compounds	Thienothiazines	null	NA
+C10474	Lusitanicoside	HMDB0034120	4484591	NA	C10474	NA	CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC=C(C=C3)CC=C)O)O)O)O)O)O	null	null	null	NULL
+HMDB0034321	Digitoxigenin 3-[glucosyl-(1->6)-glucosyl-(1->4)-2,6-dideoxyribohexoside]	HMDB0034321	NA	NA		NA	CC1OC(CC(O)C1OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)OC1CCC2(C)C(CCC3C2CCC2(C)C(CCC32O)C2=CC(=O)OC2)C1	Lipids and lipid-like molecules	Steroids and steroid derivatives	Steroid lactones	NA
+C00279	D-Erythrose 4-phosphate	HMDB0001321	122357	48153	C00279	6158	C([C@H]([C@H](C=O)O)O)OP(=O)(O)O	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates	map00030 Pentose phosphate pathway; map00400 Phenylalanine, tyrosine and tryptophan biosynthesis; map00710 Carbon fixation in photosynthetic organisms; map00750 Vitamin B6 metabolism; map01060 Biosynthesis of plant secondary metabolites; map01061 Biosynthesis of phenylpropanoids; map01063 Biosynthesis of alkaloids derived from shikimate pathway; map01070 Biosynthesis of plant hormones; map01100 Metabolic pathways; map01110 Biosynthesis of secondary metabolites; map01120 Microbial metabolism in diverse environments; map01130 Biosynthesis of antibiotics; map01200 Carbon metabolism; map01230 Biosynthesis of amino acids
+HMDB0029614	(?±)-Conen	HMDB0029614	93117	NA		NA	CCCCOP(=O)(SCC)SCC1=CC=CC=C1	Benzenoids	Benzene and substituted derivatives	null	NA
+C07524	Midazolam	HMDB0014821	4192	127611	C07524	NA	CC1=NC=C2N1C3=C(C=C(C=C3)Cl)C(=NC2)C4=CC=CC=C4F	Organoheterocyclic compounds	Benzodiazepines	1,4-benzodiazepines	NULL
+C09042	(-)-Aspidospermine	HMDB0030361	227613	28463	C09042	NA	CC[C@]12CCCN3[C@H]1[C@@]4(CC3)[C@@H](CC2)N(C5=C4C=CC=C5OC)C(=O)C	Alkaloids and derivatives	Aspidospermatan-type alkaloids	null	NULL
+C06832	Astemizole	HMDB0014775	2247	2896	C06832	NA	COC1=CC=C(C=C1)CCN2CCC(CC2)NC3=NC4=CC=CC=C4N3CC5=CC=C(C=C5)F	Organoheterocyclic compounds	Benzimidazoles	null	NULL
+HMDB0015641	Dabigatran etexilate	HMDB0015641	213023	661520		NA	CCCCCCOC(=O)N=C(C1=CC=C(C=C1)NCC2=NC3=C(N2C)C=CC(=C3)C(=O)N(CCC(=O)OCC)C4=CC=CC=N4)N	Organoheterocyclic compounds	Benzimidazoles	null	NA
+HMDB0015108	Ezetimibe	HMDB0015108	150311	49040		NA	C1=CC(=CC=C1[C@@H]2[C@H](C(=O)N2C3=CC=C(C=C3)F)CC[C@@H](C4=CC=C(C=C4)F)O)O	Organoheterocyclic compounds	Lactams	Beta lactams	NA
+HMDB0014388	Ranolazine	HMDB0014388	56959	441382		NA	CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)CC(COC3=CC=CC=C3OC)O	Benzenoids	Phenol ethers	Anisoles	NA
+C01246	Dolichyl b-D-glucosyl phosphate	HMDB0001054	22833557	15812	C01246	5969	CC(CC/C=C(/C)\CCC=C(C)C)CCOP(=O)(O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O	null	null	null	map00510 N-Glycan biosynthesis; map01100 Metabolic pathways
+C01412	Butanal	HMDB0003543	261	15743	C01412	6947	CCCC=O	Organic oxygen compounds	Organooxygen compounds	Carbonyl compounds	map00650 Butanoate metabolism; map01120 Microbial metabolism in diverse environments
+C00078	L-Tryptophan	HMDB0000929	6305	16828	C00078	5879	C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)O)N	Organoheterocyclic compounds	Indoles and derivatives	Indolyl carboxylic acids and derivatives	map00260 Glycine, serine and threonine metabolism; map00380 Tryptophan metabolism; map00400 Phenylalanine, tyrosine and tryptophan biosynthesis; map00404 Staurosporine biosynthesis; map00901 Indole alkaloid biosynthesis; map00966 Glucosinolate biosynthesis; map00970 Aminoacyl-tRNA biosynthesis; map01060 Biosynthesis of plant secondary metabolites; map01061 Biosynthesis of phenylpropanoids; map01063 Biosynthesis of alkaloids derived from shikimate pathway; map01070 Biosynthesis of plant hormones; map01100 Metabolic pathways; map01110 Biosynthesis of secondary metabolites; map01130 Biosynthesis of antibiotics; map01210 2-Oxocarboxylic acid metabolism; map01230 Biosynthesis of amino acids; map04726 Serotonergic synapse; map04974 Protein digestion and absorption; map04978 Mineral absorption; map05143 African trypanosomiasis; map05230 Central carbon metabolism in cancer
+C00780	Serotonin	HMDB0000259	5202	28790	C00780	74	C1=CC2=C(C=C1O)C(=CN2)CCN	Organoheterocyclic compounds	Indoles and derivatives	Tryptamines and derivatives	map00380 Tryptophan metabolism; map01063 Biosynthesis of alkaloids derived from shikimate pathway; map01100 Metabolic pathways; map04024 cAMP signaling pathway; map04080 Neuroactive ligand-receptor interaction; map04540 Gap junction; map04721 Synaptic vesicle cycle; map04726 Serotonergic synapse; map04742 Taste transduction; map04750 Inflammatory mediator regulation of TRP channels; map04976 Bile secretion; map07211 Serotonin receptor agonists/antagonists
+C12270	N-Acetylaspartylglutamic acid	HMDB0001067	5255	200472	C12270	NA	CC(=O)NC(CC(=O)O)C(=O)NC(CCC(=O)O)C(=O)O	null	null	null	map00250 Alanine, aspartate and glutamate metabolism; map01100 Metabolic pathways; map04080 Neuroactive ligand-receptor interaction
+C05554	Aerobactin	HMDB0004051	123762	18157	C05554	7008	CC(=O)N(CCCC[C@@H](C(=O)O)NC(=O)CC(CC(=O)N[C@@H](CCCCN(C(=O)C)O)C(=O)O)(C(=O)O)O)O	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	map00310 Lysine degradation; map01120 Microbial metabolism in diverse environments
+HMDB0034713	Fumonisin A1	HMDB0034713	NA	NA		NA	CCCCC(C)C(OC(=O)CC(CC(O)=O)C(O)=O)C(CC(C)CC(O)CCCCC(O)CC(O)C(C)\N=C(\C)O)OC(=O)CC(CC(O)=O)C(O)=O	Organic acids and derivatives	Carboxylic acids and derivatives	Fumonisins	NA
+C00542	Allocystathionine	HMDB0000455	10104953	NA	C00542	5444	C(CSCC(C(=O)O)N)[C@@H](C(=O)O)N	null	null	null	NULL
+HMDB0028787	Cysteinyl-Tyrosine	HMDB0028787	NA	NA		NA	NC(CS)C(=O)NC(CC1=CC=C(O)C=C1)C(O)=O	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	NA
+HMDB0014828	Flurazepam	HMDB0014828	3393	195929		NA	CCN(CC)CCN1C(=O)CN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3F	Organoheterocyclic compounds	Benzodiazepines	1,4-benzodiazepines	NA
+HMDB0011678	Geranylgeranylcysteine	HMDB0011678	53481025	NA		NA	CC(=CCC/C(=C/CC/C(=C/CC/C(=C/C(=O)N[C@@H](CS)C(=O)O)/C)/C)/C)C	Lipids and lipid-like molecules	Prenol lipids	Diterpenoids	NA
+HMDB0011498	LysoPE(0:0/24:1(15Z))	HMDB0011498	53480947	NA		NA	CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)O[C@H](CO)COP(=O)(O)OCCN	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines	NA
+HMDB0034624	Vinaginsenoside R1	HMDB0034624	NA	NA		NA	CC1OC(OC2C(O)C(O)C(COC(C)=O)OC2OC2CC3(C)C(CC(O)C4C(CCC34C)C3(C)CCC(O3)C(C)(C)O)C3(C)CCC(O)C(C)(C)C23)C(O)C(O)C1O	Lipids and lipid-like molecules	Prenol lipids	Terpene glycosides	NA
+C08991	Ziziphin	HMDB0035750	NA	NA	C08991	NA	CC1OC(OC2C(O)C(O)COC2OC2CCC3(C)C(CCC4(C)C3CCC3C5C6(CC43CO6)OC(CC5(C)OC3OC(C)C(O)C(OC(C)=O)C3OC(C)=O)C=C(C)C)C2(C)C)C(O)C(O)C1O	null	null	null	NULL
+HMDB0028920	Isoleucyl-Valine	HMDB0028920	NA	NA		NA	CCC(C)C(N)C(=O)NC(C(C)C)C(O)=O	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	NA
+C11180	Pyrimethanil	HMDB0033135	91650	8674	C11180	NA	CC1=CC(=NC(=N1)NC2=CC=CC=C2)C	Benzenoids	Benzene and substituted derivatives	Aniline and substituted anilines	NULL
+C04498	4-Hydroxycinnamoylagmatine	HMDB0033460	5280691	86080	C04498	NA	C1=CC(=CC=C1/C=C/C(=O)NCCCCN=C(N)N)O	Phenylpropanoids and polyketides	Cinnamic acids and derivatives	Hydroxycinnamic acids and derivatives	map00330 Arginine and proline metabolism
+C01844	Pravastatin	HMDB0005022	54687	63618	C01844	2053	CC[C@H](C)C(=O)O[C@H]1C[C@@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@H](C[C@H](CC(=O)O)O)O)O	Organic acids and derivatives	Hydroxy acids and derivatives	Medium-chain hydroxy acids and derivatives	map04976 Bile secretion
+HMDB0033613	Glabrin D	HMDB0033613	5317651	NA		NA	CC(C)C1C(=O)NC(C(=O)NCC(=O)N2CCCC2C(=O)NC(C(=O)N3CCCC3C(=O)N4CCCC4C(=O)N1)CCC(=O)O)CC5=CC=C(C=C5)O	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	NA
+C00993	D-Alanyl-D-alanine	HMDB0003459	5460362	16576	C00993	6937	C[C@H](C(=O)N[C@H](C)C(=O)O)N	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	map00473 D-Alanine metabolism; map00550 Peptidoglycan biosynthesis; map01100 Metabolic pathways; map01502 Vancomycin resistance
+HMDB0031954	3-Methyl-3-butenyl apiosyl-(1->6)-glucoside	HMDB0031954	NA	NA		NA	CC(=C)CCOC1OC(COC2OCC(O)(CO)C2O)C(O)C(O)C1O	Lipids and lipid-like molecules	Fatty Acyls	Fatty acyl glycosides	NA
+HMDB0033665	N'-Hydroxyneosaxitoxin	HMDB0033665	NA	NA		NA	ONC(=O)OCC1C2NC(=N)NC22N(CCC2(O)O)C(=N)N1O	Phenylpropanoids and polyketides	Saxitoxins, gonyautoxins, and derivatives	null	NA
+HMDB0029783	Mono-trans-p-coumaroylmesotartaric acid	HMDB0029783	10108584	NA		NA	C1=CC(=CC=C1/C=C/C(=O)OC(C(C(=O)O)O)C(=O)O)O	Phenylpropanoids and polyketides	Cinnamic acids and derivatives	Hydroxycinnamic acids and derivatives	NA
+C00761	Coniferin	HMDB0013682	5280372	16220	C00761	NA	COC1=C(C=CC(=C1)/C=C/CO)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O	Organooxygen compounds	Carbohydrates and carbohydrate conjugates	Glycosyl compounds	map00940 Phenylpropanoid biosynthesis
+HMDB0035438	Promucosine	HMDB0035438	23244604	NA		NA	COC1=C(C2=C3C(CC24C=CC(=O)C=C4)N(CCC3=C1)C(=O)OC)OC	Alkaloids and derivatives	Proaporphines	null	NA
+C09189	Stevioside	HMDB0034945	548198	NA	C09189	NA	CC12CCCC(C1CCC34C2CCC(C3)(C(=C)C4)OC5C(C(C(C(O5)CO)O)O)OC6C(C(C(C(O6)CO)O)O)O)(C)C(=O)OC7C(C(C(C(O7)CO)O)O)O	null	null	null	map01062 Biosynthesis of terpenoids and steroids; map01110 Biosynthesis of secondary metabolites
+HMDB0013019	Neuromedin C 1-8	HMDB0013019	53481580	NA		NA	C[C@@H](C(=O)N[C@H](C(C)C)C(=O)NCC(=O)N[C@H](CC1=CN=CN1)C(=O)N)NC(=O)[C@H](CC2=CNC3=CC=CC=C32)NC(=O)[C@@H](CC4=CN=CN4)NC(=O)[C@@H](CC(=O)N)NC(=O)CN	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	NA
+HMDB0028919	Isoleucyl-Tyrosine	HMDB0028919	NA	NA		NA	CCC(C)C(N)C(=O)NC(CC1=CC=C(O)C=C1)C(O)=O	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	NA
+C03002	Paucine	HMDB0029876	NA	NA	C03002	NA	NCCCC\N=C(/O)\C=C/C1=CC(O)=C(O)C=C1	Phenylpropanoids and polyketides	Cinnamic acids and derivatives	Hydroxycinnamic acids and derivatives	NULL
+C05841	Nicotinate D-ribonucleoside	HMDB0006809	161234	27748	C05841	NA	C1=CC(=C[N+](=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)C(=O)O	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates	map00760 Nicotinate and nicotinamide metabolism; map01100 Metabolic pathways
+HMDB0028716	Arginyl-Phenylalanine	HMDB0028716	NA	NA		NA	NC(CCCNC(N)=N)C(=O)NC(CC1=CC=CC=C1)C(O)=O	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	NA
+C08716	Malvidin	HMDB0003201	69512	698299	C08716	3462	COC1=CC(=CC(=C1O)OC)C2=C(C=C3C(=CC(=CC3=[O+]2)O)O)O.[Cl-]	Phenylpropanoids and polyketides	Flavonoids	O-methylated flavonoids	NULL
+HMDB0000843	N-Acetylgalactosamine 4,6-disulfate	HMDB0000843	22833549	NA		5806	CC(=O)N[C@@H]1[C@H]([C@H]([C@H](OC1O)COS(=O)(=O)O)OS(=O)(=O)O)O	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates	NA
+HMDB0002171	Glycylprolylhydroxyproline	HMDB0002171	21252274	NA		6524	C1C[C@H](N(C1)C(=O)CN)C(=O)N2CCC([C@H]2C(=O)O)O	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	NA
+C00170	5'-Methylthioadenosine	HMDB0001173	439176	17509	C00170	3425	CSC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)O	Nucleosides, nucleotides, and analogues	5'-deoxyribonucleosides	5'-deoxy-5'-thionucleosides	map00270 Cysteine and methionine metabolism; map00908 Zeatin biosynthesis; map01060 Biosynthesis of plant secondary metabolites; map01100 Metabolic pathways
+HMDB0006985	CDP-DG(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	HMDB0006985	53477929	NA		NA	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@@H](C([C@@H](O1)N2C=CC(=NC2=O)N)O)O)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC	Lipids and lipid-like molecules	Glycerophospholipids	CDP-glycerols	NA
+HMDB0015615	Rotigotine	HMDB0015615	57537	NA		NA	CCCN(CCC1=CC=CS1)C2CCC3=C(C2)C=CC=C3O	Benzenoids	Tetralins	null	NA
+HMDB0030076	Cheirotoxol	HMDB0030076	4262075	NA		NA	CC1C(C(C(C(O1)OC2CCC3(C4CCC5(C(CCC5(C4CCC3(C2)O)O)C6=CC(=O)OC6)C)CO)O)O)OC7C(C(C(C(O7)CO)O)O)O	Lipids and lipid-like molecules	Steroids and steroid derivatives	Steroid lactones	NA
+HMDB0029361	Alkaloid RC	HMDB0029361	NA	NA		NA	CN1CCC2=CC3=C(OCO3)C=C2C2OC(OC3OC(CO)C(O)C(O)C3O)C3=C(C=CC4=C3OCO4)C12	Alkaloids and derivatives	Rhoeadine alkaloids	null	NA
+HMDB0014669	Lercanidipine	HMDB0014669	65866	518487		NA	CC1=C(C(C(=C(N1)C)C(=O)OC(C)(C)CN(C)CCC(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)OC	Benzenoids	Benzene and substituted derivatives	Diphenylmethanes	NA
+C02712	N-Acetyl-L-methionine	HMDB0011745	6180	165927	C02712	NA	CC(=O)NC(CCSC)C(=O)O	null	null	null	NULL
+C11700	10-Deacetylbaccatin III	METPA1053	NA	NA	C11700	NA	NA	null	null	null	map00904 Diterpenoid biosynthesis; map01100 Metabolic pathways; map01110 Biosynthesis of secondary metabolites
+HMDB0035944	Cyclopassifloside I	HMDB0035944	NA	NA		NA	CC(C)C(O)(CO)CC(O)C(C)C1CCC2(C)C3CCC4C5(CC35CCC12C)C(O)CC(O)C4(C)C(=O)OC1OC(CO)C(O)C(O)C1O	Lipids and lipid-like molecules	Prenol lipids	Terpene glycosides	NA
+C01007	Riboflavin reduced	HMDB0001557	22833571	NA	C01007	6322	C1=CC=C2C(=C1)N=C3C(=O)NC(=O)N=C3N2C[C@H]([C@H]([C@@H](CO)O)O)O	null	null	null	map00740 Riboflavin metabolism; map01100 Metabolic pathways
+HMDB0034679	Cinncassiol D2 glucoside	HMDB0034679	NA	NA		NA	CC(COC1OC(CO)C(O)C(O)C1O)C1CC2C3(O)C4OC(O)(CC2(C)C2(O)CCC(C)(O)C42)C13C	Lipids and lipid-like molecules	Prenol lipids	Terpene glycosides	NA
+C00031	D-Glucose	HMDB0000122	5793	4167	C00031	133	C([C@@H]1[C@H]([C@@H]([C@H](C(O1)O)O)O)O)O	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates	map00010 Glycolysis / Gluconeogenesis; map00030 Pentose phosphate pathway; map00052 Galactose metabolism; map00500 Starch and sucrose metabolism; map00520 Amino sugar and nucleotide sugar metabolism; map00521 Streptomycin biosynthesis; map00524 Neomycin, kanamycin and gentamicin biosynthesis; map00901 Indole alkaloid biosynthesis; map01100 Metabolic pathways; map01110 Biosynthesis of secondary metabolites; map01130 Biosynthesis of antibiotics; map02010 ABC transporters; map02020 Two-component system; map02060 Phosphotransferase system (PTS); map04066 HIF-1 signaling pathway; map04068 FoxO signaling pathway; map04113 Meiosis - yeast; map04152 AMPK signaling pathway; map04742 Taste transduction; map04910 Insulin signaling pathway; map04911 Insulin secretion; map04917 Prolactin signaling pathway; map04922 Glucagon signaling pathway; map04930 Type II diabetes mellitus; map04931 Insulin resistance; map04932 Non-alcoholic fatty liver disease (NAFLD); map04933 AGE-RAGE signaling pathway in diabetic complications; map04973 Carbohydrate digestion and absorption; map04976 Bile secretion; map04978 Mineral absorption; map05111 Biofilm formation - Vibrio cholerae; map05230 Central carbon metabolism in cancer
+C01814	Haloperidol	HMDB0014645	3559	5613	C01814	NA	C1CN(CCC1(C2=CC=C(C=C2)Cl)O)CCCC(=O)C3=CC=C(C=C3)F	Organic oxygen compounds	Organooxygen compounds	Carbonyl compounds	NULL
+HMDB0031690	cis-3-Hexenyl b-primeveroside	HMDB0031690	NA	NA		NA	CC\C=C/CCOC1OC(COC2OCC(O)C(O)C2O)C(O)C(O)C1O	Lipids and lipid-like molecules	Fatty Acyls	Fatty acyl glycosides	NA
+C07264	Nicardipine	HMDB0014760	4474	507549	C07264	NA	CC1=C(C(C(=C(N1)C)C(=O)OCCN(C)CC2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OC	Organoheterocyclic compounds	Pyridines and derivatives	Hydropyridines	NULL
+HMDB0006990	CDP-DG(18:1(11Z)/18:2(9Z,12Z))	HMDB0006990	53477933	NA		NA	CCCCCC/C=C\CCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@@H](C([C@@H](O1)N2C=CC(=NC2=O)N)O)O)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC	Lipids and lipid-like molecules	Glycerophospholipids	CDP-glycerols	NA
+HMDB0029130	Valyl-Isoleucine	HMDB0029130	NA	NA		NA	CCC(C)C(NC(=O)C(N)C(C)C)C(O)=O	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	NA
+C06604	Parathion	HMDB0001355	991	27928	C06604	NA	CCOP(=S)(OCC)OC1=CC=C(C=C1)[N+](=O)[O-]	Organic acids and derivatives	Organic thiophosphoric acids and derivatives	Thiophosphoric acid esters	map00627 Aminobenzoate degradation; map01120 Microbial metabolism in diverse environments
+C16562	Glutathionylspermine	METPA1343	NA	NA	C16562	NA	NA	null	null	null	map00480 Glutathione metabolism
+HMDB0030531	Janthitrem G	HMDB0030531	10394234	NA		NA	CC(=O)OC1C=C2C(CCC3(C2(CCC4C3(C5=C(C4)C6=CC7=C(C=C6N5)C8=CC(OC(C8C7)(C)C)(C)C)C)O)C)OC1C(C)(C)O	Organoheterocyclic compounds	Naphthopyrans	null	NA
+C10803	Demissine	HMDB0034205	4486606	NA	C10803	NA	CC1CCC2C(C3C(N2C1)CC4C3(CCC5C4CCC6C5(CCC(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)CO)O)OC9C(C(C(CO9)O)O)O)OC1C(C(C(C(O1)CO)O)O)O)O)O)C)C)C	null	null	null	NULL
+HMDB0030510	Notoginsenoside C	HMDB0030510	NA	NA		NA	CC(=C)C(CCC(C)(OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3CCC21C)OO	Lipids and lipid-like molecules	Steroids and steroid derivatives	Steroidal glycosides	NA
+C01495	3-Hydroxyflavone	HMDB0031816	11349	5078	C01495	NA	C1=CC=C(C=C1)C2=C(C(=O)C3=CC=CC=C3O2)O	Phenylpropanoids and polyketides	Flavonoids	Flavones	map01060 Biosynthesis of plant secondary metabolites
+C01674	Chitobiose	HMDB0003556	22833609	NA	C01674	6953	CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)NC(=O)O)O	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates	map00520 Amino sugar and nucleotide sugar metabolism; map01100 Metabolic pathways; map02010 ABC transporters; map02060 Phosphotransferase system (PTS)
+C03427	Prephytoene diphosphate	HMDB0003023	24883415	17090	C03427	3592	CC(=CCC/C(=C/CC/C(=C/CC/C(=C/[C@@H]1[C@H]([C@]1(C)CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)COP(=O)(O)OP(=O)(O)O)/C)/C)/C)C	Lipids and lipid-like molecules	Prenol lipids	Triterpenoids	map00906 Carotenoid biosynthesis; map01100 Metabolic pathways; map01110 Biosynthesis of secondary metabolites
+C06961	Diphenidol	HMDB0015361	3055	4638	C06961	NA	C1CCN(CC1)CCCC(C2=CC=CC=C2)(C3=CC=CC=C3)O	Benzenoids	Benzene and substituted derivatives	Diphenylmethanes	NULL
+HMDB0009926	PIP(16:0/18:2(9Z,12Z))	HMDB0009926	53480123	NA	C00626	NA	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@@H]1C([C@@H](C(C(C1O)O)O)OP(=O)(O)O)O)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoinositol phosphates	NA
+HMDB0002759	Androsterone sulfate	HMDB0002759	159663	83037		3559	C[C@]12CC[C@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C)OS(=O)(=O)O	Lipids and lipid-like molecules	Steroids and steroid derivatives	Sulfated steroids	NA
+C07132	Thiethylperazine	HMDB0014516	5440	9544	C07132	NA	CCSC1=CC2=C(C=C1)SC3=CC=CC=C3N2CCCN4CCN(CC4)C	Organoheterocyclic compounds	Benzothiazines	Phenothiazines	NULL
+HMDB0033468	Diferuloylputrescine	HMDB0033468	5321825	NA		NA	COC1=C(C=CC(=C1)/C=C/C(=O)NCCCCNC(=O)/C=C/C2=CC(=C(C=C2)O)OC)O	Phenylpropanoids and polyketides	Cinnamic acids and derivatives	Hydroxycinnamic acids and derivatives	NA
+HMDB0009243	PE(20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	HMDB0009243	52924877	NA	C00350	NA	CCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines	NA
+C01230	All-trans-hexaprenyl diphosphate	HMDB0012188	5280413	17528	C01230	NA	CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/COP(=O)(O)OP(=O)(O)O)/C)/C)/C)/C)/C)C	Lipids and lipid-like molecules	Prenol lipids	Polyprenols	map00130 Ubiquinone and other terpenoid-quinone biosynthesis; map00900 Terpenoid backbone biosynthesis; map01110 Biosynthesis of secondary metabolites
+HMDB0006576	Lacto-N-fucopentaose III	HMDB0006576	53477857	NA		NA	C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H](O[C@@H]([C@H]2O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)CO)O[C@H]4[C@H]([C@H](O[C@H]([C@@H]4O)O[C@H]([C@@H](CO)O)[C@@H]([C@H](C=O)O)O)CO)O)NC(=O)C)O)O)O	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates	NA
+HMDB0011170	gamma-Glutamylisoleucine	HMDB0011170	22885096	68434		NA	CC[C@H](C)[C@@H](C(=O)O)NC(=O)CC[C@@H](C(=O)O)N	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	NA
+C00664	5-Formiminotetrahydrofolic acid	HMDB0001534	530	15639	C00664	6305	C1C(N(C2=C(N1)NC(=NC2=O)N)C=N)CNC3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O	null	null	null	map00670 One carbon pool by folate; map01100 Metabolic pathways
+C07773	Ambenonium	HMDB0015254	2131	2627	C07773	NA	CC[N+](CC)(CCNC(=O)C(=O)NCC[N+](CC)(CC)CC1=CC=CC=C1Cl)CC2=CC=CC=C2Cl	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	NULL
+HMDB0013946	8-Hydroxycarvedilol	HMDB0013946	9979639	NA		NA	COC1=CC=CC=C1OCCNCC(COC2=CC=CC3=C2C4=C(N3)C(=CC=C4)O)O	Organoheterocyclic compounds	Indoles and derivatives	Carbazoles	NA
+C04217	Geranylfarnesyl diphosphate	HMDB0012231	5280659	16818	C04217	NA	CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/COP(=O)(O)OP(=O)(O)O)/C)/C)/C)/C)C	Lipids and lipid-like molecules	Prenol lipids	Polyprenols	NULL
+HMDB0030434	Loquatifolin A	HMDB0030434	NA	NA		NA	CC1OC(OCC2OC(OC(C)(CC\C=C(/C)CCC=C(C)C)C=C)C(O)C(O)C2OC2OC(C)C(OC3OC(C)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates	NA
+HMDB0031786	9-(2-Carboxyphenyl)-3,6-bis(diethylamino)xanthylium(1+)	HMDB0031786	NA	52896		NA	CCN(CC)C1=CC2=C(C=C1)C(C1=CC=CC=C1C(O)=O)=C1C=CC(C=C1O2)=[N+](CC)CC	Organoheterocyclic compounds	Benzopyrans	1-benzopyrans	NA
+C07339	Quinacrine	HMDB0015235	237	8711	C07339	NA	CCN(CC)CCCC(C)NC1=C2C=C(C=CC2=NC3=C1C=CC(=C3)Cl)OC	Organoheterocyclic compounds	Quinolines and derivatives	Benzoquinolines	NULL
+HMDB0015631	Alvimopan	HMDB0015631	5488548	535293		NA	C[C@H]1CN(CC[C@@]1(C)C2=CC(=CC=C2)O)C[C@H](CC3=CC=CC=C3)C(=O)NCC(=O)O	Organic acids and derivatives	Peptidomimetics	Hybrid peptides	NA
+C08760	Glaucarubin	HMDB0035626	3321199	NA	C08760	NA	CCC(C)(C(=O)OC1C2C(C(C3(C4C2(CO3)C(CC5C4(C(C(C=C5C)O)O)C)OC1=O)O)O)C)O	null	null	null	NULL
+HMDB0028764	Aspartyl-Tryptophan	HMDB0028764	NA	NA		NA	NC(CC(O)=O)C(=O)NC(CC1=CNC2=CC=CC=C12)C(O)=O	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	NA
+HMDB0011538	MG(0:0/18:2(9Z,12Z)/0:0)	HMDB0011538	5365676	NA		NA	CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC(CO)CO	Lipids and lipid-like molecules	Fatty Acyls	Lineolic acids and derivatives	NA
+HMDB0034544	AzIII	HMDB0034544	NA	NA		NA	CC1OC(OC2C(O)C(O)C(OC2OC2C(O)C(O)C(OC2OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)CC(OC6CC(=O)C(O)=C(C)O6)C5(C)CCC43C)C2(C)CO)C(O)=O)C(O)=O)C(O)C(O)C1O	Lipids and lipid-like molecules	Prenol lipids	Terpene glycosides	NA
+HMDB0031380	(6beta,7alpha,12beta,13beta)-7-Hydroxy-11,16-dioxo-8,14-apianadien-22,6-olide	HMDB0031380	NA	NA		NA	CC(C)C12C(C(C)=CC1=O)C1=C(C2=O)C23CCCC(C)(C)C2C(OC3=O)C1O	Lipids and lipid-like molecules	Prenol lipids	Terpene lactones	NA
+C01661	Doxorubicin	HMDB0015132	31703	28748	C01661	NA	C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C(C4=C(C(=C23)O)C(=O)C5=C(C4=O)C=CC=C5OC)O)(C(=O)CO)O)N)O	Phenylpropanoids and polyketides	Anthracyclines	null	map01057 Biosynthesis of type II polyketide products; map01130 Biosynthesis of antibiotics
+C00016	FAD	HMDB0001248	643975	16238	C00016	6106	CC1=CC2=C(C=C1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=NC6=C5N=CN=C6N)O)O)O)O)O	Nucleosides, nucleotides, and analogues	Flavin nucleotides	null	map00740 Riboflavin metabolism; map01100 Metabolic pathways; map01110 Biosynthesis of secondary metabolites; map04977 Vitamin digestion and absorption
+C05688	Selenocysteine	HMDB0003288	25076	16633	C05688	3292	C([C@@H](C(=O)O)N)[SeH]	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	map00450 Selenocompound metabolism; map01100 Metabolic pathways
+HMDB0012450	PS(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	HMDB0012450	46891812	NA		NA	CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoserines	NA
+C00257	Gluconic acid	HMDB0000625	10690	33198	C00257	345	C([C@H]([C@H]([C@@H]([C@H](C(=O)O)O)O)O)O)O	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates	map00030 Pentose phosphate pathway; map01100 Metabolic pathways; map01110 Biosynthesis of secondary metabolites; map01120 Microbial metabolism in diverse environments; map01130 Biosynthesis of antibiotics; map01200 Carbon metabolism
+HMDB0000594	gamma-Glutamylphenylalanine	HMDB0000594	111299	89582		5573	C1=CC=C(C=C1)C[C@@H](C(=O)O)NC(=O)CC[C@@H](C(=O)O)N	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	NA
+C01169	(S)-Succinyldihydrolipoamide	HMDB0001177	439425	17432	C01169	6058	C(CCC(=O)N)C[C@H](CCS)SC(=O)CCC(=O)O	null	null	null	NULL
+HMDB0030423	28-Homobrassinolide	HMDB0030423	4285635	NA		NA	CCC(C(C)C)C(C(C(C)C1CCC2C1(CCC3C2COC(=O)C4C3(CC(C(C4)O)O)C)C)O)O	Lipids and lipid-like molecules	Steroids and steroid derivatives	Steroid lactones	NA
+C11831	Divinylprotochlorophyllide	METPA1061	NA	NA	C11831	NA	NA	null	null	null	map00860 Porphyrin and chlorophyll metabolism; map01100 Metabolic pathways; map01110 Biosynthesis of secondary metabolites
+C00978	N-Acetylserotonin	HMDB0001238	903	17697	C00978	366	CC(=O)NCCC1=CNC2=C1C=C(C=C2)O	Organoheterocyclic compounds	Indoles and derivatives	Hydroxyindoles	map00380 Tryptophan metabolism; map01100 Metabolic pathways
+C08894	Deltonin	HMDB0029311	4483040	NA	C08894	NA	CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)CO)O)O)O)O)OC9C(C(C(C(O9)C)O)O)O)C)C)C)OC1	null	null	null	NULL
+HMDB0034947	Rebaudioside C	HMDB0034947	NA	NA		NA	CC1OC(OC2C(OC34CC5(CC3=C)CCC3C(C)(CCCC3(C)C(=O)OC3OC(CO)C(O)C(O)C3O)C5CC4)OC(CO)C(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O	Lipids and lipid-like molecules	Prenol lipids	Terpene glycosides	NA
+C08309	5-Methoxydimethyltryptamine	HMDB0002004	1832	2086	C08309	NA	CN(C)CCC1=CNC2=C1C=C(C=C2)OC	Organoheterocyclic compounds	Indoles and derivatives	Tryptamines and derivatives	NULL
+HMDB0031827	Fumonisin FP2	HMDB0031827	10629162	NA		NA	CCCCC(C)C(C(CC(C)CCCCCCC(CC(C(C)[N+]1=CC=CC(=C1)O)O)O)OC(=O)CC(CC(=O)O)C(=O)O)OC(=O)CC(CC(=O)O)C(=O)O	Organic acids and derivatives	Carboxylic acids and derivatives	Hexacarboxylic acids and derivatives	NA
+C02135	Angiotensin II	HMDB0001035	172198	2719	C02135	NA	CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CN=CN1)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)O)NC(=O)[C@H](CC4=CC=C(C=C4)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(=O)O)N	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	map04614 Renin-angiotensin system; map04924 Renin secretion; map07229 Angiotensin receptor and endothelin receptor antagonists
+C07005	Flunisolide	HMDB0014326	82153	5106	C07005	NA	C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1C[C@@H]4[C@]2(OC(O4)(C)C)C(=O)CO)C[C@@H](C5=CC(=O)C=C[C@]35C)F)O	Lipids and lipid-like molecules	Steroids and steroid derivatives	Hydroxysteroids	NULL
+HMDB0035940	Mulberrofuran T	HMDB0035940	NA	NA		NA	CC(C)=CCC1=C(O)C=CC2=C1OC(=C2)C1=CC(O)=C(C2C=C(C)CC(C2C(=O)C2=C(O)C(CC=C(C)C)=C(O)C=C2)C2=C(O)C=C(O)C=C2)C(O)=C1	Phenylpropanoids and polyketides	2-arylbenzofuran flavonoids	null	NA
+C11269	Virginiamycin	HMDB0030520	122731	NA	C11269	NA	CCC1C(=O)N2CCCC2C(=O)N(C(C(=O)N3CCC(=O)CC3C(=O)NC(C(=O)OC(C(C(=O)N1)NC(=O)C4=C(C=CC=N4)O)C)C5=CC=CC=C5)CC6=CC=CC=C6)C	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	NULL
+HMDB0033241	Glycylalanylprolylmethionylphenylalanylvalinamide	HMDB0033241	44208910	NA		NA	CC(C)C(C(=O)N)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(CCSC)NC(=O)C2CCCN2C(=O)C(C)NC(=O)CN	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	NA
+HMDB0034617	(3b,4b,11b,14b)-11-Ethoxy-3,4-epoxy-14-hydroxy-12-cyathen-15-al 14-xyloside	HMDB0034617	NA	NA		NA	CCOC1CC2C34OC3(CCC4(C)CCC2(C)C(OC2OCC(O)C(O)C2O)C=C1C=O)C(C)C	Lipids and lipid-like molecules	Prenol lipids	Diterpenoids	NA
+HMDB0030117	Asparagoside G	HMDB0030117	3042722	NA		NA	CC1C2C(CC3C2(CCC4C3CCC5C4(CCC(C5)OC6C(C(C(C(O6)CO)OC7C(C(C(C(O7)CO)O)O)O)OC8C(C(C(C(O8)CO)O)O)O)O)C)C)OC1(CCC(C)COC9C(C(C(C(O9)CO)O)O)O)O	Lipids and lipid-like molecules	Steroids and steroid derivatives	Steroidal glycosides	NA
+C00180	Benzoic acid	HMDB0001870	243	30746	C00180	1297	C1=CC=C(C=C1)C(=O)O	null	null	null	map00360 Phenylalanine metabolism; map00362 Benzoate degradation; map00621 Dioxin degradation; map00623 Toluene degradation; map00627 Aminobenzoate degradation; map01063 Biosynthesis of alkaloids derived from shikimate pathway; map01100 Metabolic pathways; map01110 Biosynthesis of secondary metabolites; map01120 Microbial metabolism in diverse environments; map01220 Degradation of aromatic compounds
+HMDB0002577	Cholic acid glucuronide	HMDB0002577	21252309	NA		6714	C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)C)O)O)C	Lipids and lipid-like molecules	Steroids and steroid derivatives	Steroidal glycosides	NA
+HMDB0034635	Esculentoside E	HMDB0034635	53462068	NA		NA	CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)CO)OC6C(C(C(CO6)O)O)O)O)C)C)C2C1)C)C(=O)O)C(=O)O	Lipids and lipid-like molecules	Prenol lipids	Triterpenoids	NA
+HMDB0012372	PS(16:1(9Z)/20:4(5Z,8Z,11Z,14Z))	HMDB0012372	52926006	NA		NA	CCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoserines	NA
+C16787	AK toxin I	HMDB0030401	46173828	NA	C16787	NA	CC(C1=CC=CC=C1)C(C(=O)OC(/C=C/C=C\C=C\C(=O)O)C2(CO2)C)NC(=O)C	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	NULL
+C02284	Glycyrrhizin	HMDB0029843	3495	15939	C02284	NA	CC1(C2CCC3(C(C2(CCC1OC4C(C(C(C(O4)C(=O)O)O)O)OC5C(C(C(C(O5)C(=O)O)O)O)O)C)C(=O)C=C6C3(CCC7(C6CC(CC7)(C)C(=O)O)C)C)C)C	null	null	null	NULL
+C07204	Vincristine	HMDB0014681	5978	28445	C07204	NA	CC[C@@]1(C[C@@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C=O)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	Alkaloids and derivatives	Vinca alkaloids	null	map00901 Indole alkaloid biosynthesis; map01110 Biosynthesis of secondary metabolites
+HMDB0004135	Poly-g-D-glutamate	HMDB0004135	53477778	NA	C05723	NA	C(C[C@H](C(=O)O)NC(=O)CC[C@H](C(=O)O)NC(=O)CC[C@H](C(=O)O)NC(=O)CC[C@H](C(=O)O)N)C=O	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	NA
+C12012	Tigecycline	HMDB0014700	NA	149836	C12012	NA	[H][C@@]12CC3=C(C=C(NC(=O)CNC(C)(C)C)C(O)=C3C(=O)C1=C(O)[C@]1(O)C(=O)C(C(N)=O)=C(O)[C@@H](N(C)C)[C@]1([H])C2)N(C)C	Phenylpropanoids and polyketides	Tetracyclines	null	NULL
+HMDB0002472	(3a,5b,7a,12a)-24-[(carboxymethyl)amino]-1,12-dihydroxy-24-oxocholan-3-yl-b-D-Glucopyranosiduronic acid	HMDB0002472	53477752	NA		NA	C[C@H](CCC(=O)NCC(=O)O)C1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)C)O)O)C	Lipids and lipid-like molecules	Steroids and steroid derivatives	Steroidal glycosides	NA
+C00933	Sinapine	HMDB0029379	89287	16353	C00933	NA	C[N+](C)(C)CCOC(=O)C=CC1=CC(=C(C(=C1)OC)O)OC	Phenylpropanoids and polyketides	Cinnamic acids and derivatives	Hydroxycinnamic acids and derivatives	map00940 Phenylpropanoid biosynthesis
+HMDB0006595	Alpha-Trisaccharide	HMDB0006595	53477862	NA		NA	C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC[C@](C)([C@H]([C@@H](CO)O)O)O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)NC(=O)C)O)O)O	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates	NA
+HMDB0001045	Enkephalin L	HMDB0001045	461776	103389		NA	CC(C)C[C@@H](C(=O)O)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CNC(=O)CNC(=O)[C@H](CC2=CC=C(C=C2)O)N	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	NA
+HMDB0035439	3',4',5'-Trimethoxytricetin 7-[rhamnosyl-(1->6)-glucoside]	HMDB0035439	NA	NA		NA	COC1=CC(=CC(OC)=C1OC)C1=CC(=O)C2=C(O)C=C(OC3OC(COC4OC(C)C(O)C(O)C4O)C(O)C(O)C3O)C=C2O1	Phenylpropanoids and polyketides	Flavonoids	Flavonoid glycosides	NA
+C07014	Fluvastatin	HMDB0015227	1548972	5136	C07014	NA	CC(C)N1C2=CC=CC=C2C(=C1/C=C/[C@@H](C[C@@H](CC(=O)O)O)O)C3=CC=C(C=C3)F	Organoheterocyclic compounds	Pyrroles	Substituted pyrroles	map04976 Bile secretion
+C11758	Mupirocin	HMDB0014554	446596	135271	C11758	NA	C[C@H]([C@H]1[C@@H](O1)C[C@H]2CO[C@H]([C@@H]([C@@H]2O)O)C/C(=C/C(=O)OCCCCCCCCC(=O)O)/C)[C@H](C)O	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	NULL
+HMDB0010397	LysoPC(20:5(5Z,8Z,11Z,14Z,17Z))	HMDB0010397	11757087	NA	C04230	NA	CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)O	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphocholines	NA
+HMDB0002486	Taurochenodeoxycholate-3-sulfate	HMDB0002486	44263374	NA		6697	C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)S(=O)(=O)O)C)O)O)C	Lipids and lipid-like molecules	Steroids and steroid derivatives	Bile acids, alcohols and derivatives	NA
+HMDB0010032	PIP2(16:0/16:0)	HMDB0010032	53480223	NA	C00626	NA	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@@H]1C([C@@H](C(C(C1O)O)OP(=O)(O)O)OP(=O)(O)O)O)OC(=O)CCCCCCCCCCCCCCC	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoinositol phosphates	NA
+HMDB0006993	CDP-DG(18:1(11Z)/22:3(10Z,13Z,16Z))	HMDB0006993	53477936	NA		NA	CCCCCC/C=C\CCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@@H](C([C@@H](O1)N2C=CC(=NC2=O)N)O)O)OC(=O)CCCCCCCC/C=C\C/C=C\C/C=C\CCCCC	Lipids and lipid-like molecules	Glycerophospholipids	CDP-glycerols	NA
+C11134	Testosterone glucuronide	HMDB0003193	108192	28835	C11134	2794	C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)CCC5=CC(=O)CC[C@]35C	Lipids and lipid-like molecules	Steroids and steroid derivatives	Steroidal glycosides	map00140 Steroid hormone biosynthesis
+HMDB0006981	CDP-DG(18:0/18:2(9Z,12Z))	HMDB0006981	53477925	NA		NA	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@@H](C([C@@H](O1)N2C=CC(=NC2=O)N)O)O)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC	Lipids and lipid-like molecules	Glycerophospholipids	CDP-glycerols	NA
+HMDB0013531	PGP(18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	HMDB0013531	53481849	NA		NA	CCCCCC/C=C\CCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@H](COP(=O)(O)O)O)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoglycerophosphates	NA
+HMDB0011514	LysoPE(20:3(11Z,14Z,17Z)/0:0)	HMDB0011514	53480950	NA		NA	CC/C=C\C/C=C\C/C=C\CCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)O	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines	NA
+C10350	Monocrotaline	HMDB0034363	4246	6980	C10350	NA	CC1C(=O)OC2CCN3C2C(=CC3)COC(=O)C(C1(C)O)(C)O	null	null	null	NULL
+C01134	Pantetheine 4'-phosphate	HMDB0001416	987	16858	C01134	NA	CC(C)(COP(=O)(O)O)C(C(=O)NCCC(=O)NCCS)O	null	null	null	map00332 Carbapenem biosynthesis; map00770 Pantothenate and CoA biosynthesis; map01100 Metabolic pathways; map01130 Biosynthesis of antibiotics
+HMDB0032771	Eremopetasitenin C2	HMDB0032771	NA	NA		NA	COC12CC3CCC(OC(=O)\C=C\SC)C(C)C3(C)C(OC(=O)C(\C)=C\C)C1=C(C)C(=O)O2	Lipids and lipid-like molecules	Prenol lipids	Terpene lactones	NA
+HMDB0035372	Licoagrodin	HMDB0035372	NA	NA		NA	CC(C)=CCC1=C(O)C=CC(=C1)C12OC34C(OC5=C3C=CC(O)=C5CC=C(C)C)OC3=CC(O)=CC=C3C4C1C(=O)C1=CC(CC=C(C)C)=C(O)C=C1O2	Phenylpropanoids and polyketides	Flavonoids	Flavans	NA
+HMDB0031227	Marshdimerin	HMDB0031227	NA	NA		NA	CC(C)(OC1=C2C=C(C(=O)OC2=C(OC2=C3C=C(C(=O)OC3=C(C3=C2C=CC(C)(C)O3)C(C)(C)C=C)C(C)(C)C=C)C2=C1C=CC(C)(C)O2)C(C)(C)C=C)C=C	Phenylpropanoids and polyketides	Coumarins and derivatives	Pyranocoumarins	NA
+C01608	Piroxicam	HMDB0014694	54676228	8249	C01608	NA	CN1C(=C(C2=CC=CC=C2S1(=O)=O)O)C(=O)NC3=CC=CC=N3	Organoheterocyclic compounds	Benzothiazines	null	NULL
+C04227	p-Octopamine	HMDB0004825	440266	44715	C04227	7087	C1=CC(=CC=C1[C@H](CN)O)O	Benzenoids	Phenols	1-hydroxy-2-unsubstituted benzenoids	map04080 Neuroactive ligand-receptor interaction
+C21516	Paliperidone	HMDB0015396	115237	568656	C21516	NA	CC1=C(C(=O)N2CCCC(C2=N1)O)CCN3CCC(CC3)C4=NOC5=C4C=CC(=C5)F	Organoheterocyclic compounds	Pyridopyrimidines	null	NULL
+C06956	Digoxin	HMDB0001917	2724385	4551	C06956	2047	C[C@@H]1[C@H]([C@H](C[C@@H](O1)O[C@@H]2[C@H](O[C@H](C[C@@H]2O)O[C@@H]3[C@H](O[C@H](C[C@@H]3O)O[C@H]4CC[C@]5([C@@H](C4)CC[C@@H]6[C@@H]5C[C@H]([C@]7([C@@]6(CC[C@@H]7C8=CC(=O)OC8)O)C)O)C)C)C)O)O	Lipids and lipid-like molecules	Steroids and steroid derivatives	Steroid lactones	map04976 Bile secretion
+HMDB0002511	3,4,5-Trimethoxycinnamic acid	HMDB0002511	735755	NA		6705	COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)O	Phenylpropanoids and polyketides	Cinnamic acids and derivatives	Hydroxycinnamic acids and derivatives	NA
+C12650	Capecitabine	HMDB0015233	60953	31348	C12650	NA	CCCCCOC(=O)NC1=NC(=O)N(C=C1F)[C@H]2[C@@H]([C@@H]([C@H](O2)C)O)O	Nucleosides, nucleotides, and analogues	5'-deoxyribonucleosides	null	map00983 Drug metabolism - other enzymes
+C07652	Mifepristone	HMDB0014972	55245	50692	C07652	NA	CC#C[C@@]1(CC[C@@H]2[C@@]1(C[C@@H](C3=C4CCC(=O)C=C4CC[C@@H]23)C5=CC=C(C=C5)N(C)C)C)O	Lipids and lipid-like molecules	Steroids and steroid derivatives	Oxosteroids	NULL
+HMDB0030233	Sarsasapogenin 3-[4''-glucosyl-6''-arabinosylglucoside]	HMDB0030233	NA	NA		NA	CC1C2C(CC3C4CCC5CC(CCC5(C)C4CCC23C)OC2OC(COC3OCC(O)C(O)C3O)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)OC11CCC(C)CO1	Lipids and lipid-like molecules	Steroids and steroid derivatives	Steroidal glycosides	NA
+HMDB0028918	Isoleucyl-Tryptophan	HMDB0028918	NA	NA		NA	CCC(C)C(N)C(=O)NC(CC1=CNC2=CC=CC=C12)C(O)=O	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	NA
+HMDB0014660	Trandolapril	HMDB0014660	5484727	521317		NA	CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@@H](C)C(=O)N2[C@H]3CCCC[C@@H]3C[C@H]2C(=O)O	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	NA
+HMDB0015381	Gliquidone	HMDB0015381	91610	441224		NA	CC1(C2=C(C=C(C=C2)OC)C(=O)N(C1=O)CCC3=CC=C(C=C3)S(=O)(=O)NC(=O)NC4CCCCC4)C	Organoheterocyclic compounds	Isoquinolines and derivatives	1,3-isoquinolinediones	NA
+C06694	Fusidic Acid	HMDB0015570	3000226	29013	C06694	NA	C[C@H]1[C@@H]2CC[C@]3([C@H]([C@]2(CC[C@H]1O)C)[C@@H](C[C@@H]\4[C@@]3(C[C@@H](/C4=C(/CCC=C(C)C)\C(=O)O)OC(=O)C)C)O)C	Lipids and lipid-like molecules	Steroids and steroid derivatives	Steroid esters	NULL
+C05793	L-Urobilin	HMDB0004159	5280818	NA	C05793	7022	CCC1C(C(=O)NC1CC2=N/C(=C/C3=C(C(=C(N3)CC4C(C(C(=O)N4)CC)C)C)CCC(=O)O)/C(=C2C)CCC(=O)O)C	null	null	null	map00860 Porphyrin and chlorophyll metabolism
+C02166	Leukotriene C4	HMDB0001198	5280493	16978	C02166	3681	CCCCC/C=C\C/C=C\C=C\C=C\[C@H]([C@H](CCCC(=O)O)O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	map00590 Arachidonic acid metabolism; map01100 Metabolic pathways; map04080 Neuroactive ligand-receptor interaction; map04664 Fc epsilon RI signaling pathway; map04726 Serotonergic synapse; map04976 Bile secretion; map05310 Asthma
+HMDB0006969	CDP-DG(16:0/18:0)	HMDB0006969	53477913	NA		NA	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@@H](C([C@@H](O1)N2C=CC(=NC2=O)N)O)O	Lipids and lipid-like molecules	Glycerophospholipids	CDP-glycerols	NA
+C01081	Thiamine monophosphate	HMDB0002666	3382778	37574	C01081	3488	CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCOP(=O)(O)[O-]	null	null	null	map00730 Thiamine metabolism; map01100 Metabolic pathways
+HMDB0015435	Polystyrene sulfonate	HMDB0015435	NA	NA		NA	OS(=O)(=O)C1=CC=C(C=C)C=C1	Benzenoids	Benzene and substituted derivatives	Benzenesulfonic acids and derivatives	NA
+C07919	Metocurine	HMDB0015429	21233	339465	C07919	NA	C[N+]1(CCC2=CC(=C3C=C2[C@@H]1CC4=CC=C(C=C4)OC5=C6[C@@H](CC7=CC(=C(C=C7)OC)O3)[N+](CCC6=CC(=C5OC)OC)(C)C)OC)C	Organic oxygen compounds	Organooxygen compounds	Ethers	map07221 Nicotinic cholinergic receptor antagonists
+C07201	Vinblastine	HMDB0014710	241903	27375	C07201	NA	CC[C@@]1(C[C@@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	Alkaloids and derivatives	Vinca alkaloids	null	map00901 Indole alkaloid biosynthesis; map01063 Biosynthesis of alkaloids derived from shikimate pathway; map01110 Biosynthesis of secondary metabolites; map04976 Bile secretion
+HMDB0028711	Arginyl-Histidine	HMDB0028711	NA	NA		NA	NC(CCCNC(N)=N)C(=O)NC(CC1=CN=CN1)C(O)=O	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	NA
+C00734	Chitosan	HMDB0003404	71853	NA	C00734	NA	COC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)N)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)N)O)CO)CO)CO)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)N)O)N)O)N)O)N)O)N)O)N)O	null	null	null	map00520 Amino sugar and nucleotide sugar metabolism; map01100 Metabolic pathways
+HMDB0009474	PE(20:5(5Z,8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	HMDB0009474	52924872	NA	C00350	NA	CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines	NA
+HMDB0030204	1-(2-Furanylmethyl)-1H-pyrrole	HMDB0030204	15037	NA		NA	C1=CN(C=C1)CC2=CC=CO2	Organoheterocyclic compounds	Pyrroles	Substituted pyrroles	NA
+C07953	Chlorprothixene	HMDB0015369	667466	50932	C07953	NA	CN(C)CC/C=C/1\C2=CC=CC=C2SC3=C1C=C(C=C3)Cl	null	null	null	NULL
+C16138	L-Pyrrolysine	METPA1236	NA	NA	C16138	NA	NA	null	null	null	map00300 Lysine biosynthesis; map00970 Aminoacyl-tRNA biosynthesis; map01120 Microbial metabolism in diverse environments; map04974 Protein digestion and absorption
+C05595	4-Hydroxyphenylacetylglutamine	HMDB0006061	440731	28036	C05595	NA	C1=CC(=CC=C1CC(=O)NC(CCC(=O)O)C(=O)O)O	null	null	null	map00350 Tyrosine metabolism
+HMDB0035607	Saponin H	HMDB0035607	NA	NA		NA	CC(C)=CC(O)CC1(C)OC1C1CCC2C3(C)CCC(OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3CCC2(C)C11COC(=O)C1	Lipids and lipid-like molecules	Prenol lipids	Terpene glycosides	NA
+C00166	Phenylpyruvic acid	HMDB0000205	997	30851	C00166	328	C1=CC=C(C=C1)CC(=O)C(=O)O	Benzenoids	Benzene and substituted derivatives	Phenylpyruvic acid derivatives	map00360 Phenylalanine metabolism; map00400 Phenylalanine, tyrosine and tryptophan biosynthesis; map00960 Tropane, piperidine and pyridine alkaloid biosynthesis; map01060 Biosynthesis of plant secondary metabolites; map01100 Metabolic pathways; map01110 Biosynthesis of secondary metabolites; map01130 Biosynthesis of antibiotics; map01210 2-Oxocarboxylic acid metabolism; map01230 Biosynthesis of amino acids
+C02633	Crustecdysone	HMDB0030180	271605	16587	C02633	NA	CC12CCC3C(=CC(=O)C4C3(CC(C(C4)O)O)C)C1(CCC2C(C)(C(CCC(C)(C)O)O)O)O	null	null	null	map00981 Insect hormone biosynthesis
+C07266	Nifedipine	HMDB0015247	4485	7565	C07266	NA	CC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC=CC=C2[N+](=O)[O-])C(=O)OC	Organoheterocyclic compounds	Pyridines and derivatives	Hydropyridines	NULL
+C06825	Amlodipine	HMDB0005018	2162	2668	C06825	955	CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2Cl)C(=O)OC)C)COCCN	Organoheterocyclic compounds	Pyridines and derivatives	Hydropyridines	NULL
+HMDB0015590	Fluspirilene	HMDB0015590	3396	166238		NA	C1CN(CCC12C(=O)NCN2C3=CC=CC=C3)CCCC(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F	Benzenoids	Benzene and substituted derivatives	Diphenylmethanes	NA
+HMDB0012348	PS(14:1(9Z)/18:3(9Z,12Z,15Z))	HMDB0012348	52925233	NA		NA	CCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoserines	NA
+C10062	Gambogic acid	HMDB0034095	5353639	NA	C10062	NA	CC(=CCCC1(C=CC2=C(O1)C(=C3C(=C2O)C(=O)C4=CC5CC6C4(O3)C(C5=O)(OC6(C)C)C/C=C(/C)\C(=O)O)CC=C(C)C)C)C	null	null	null	NULL
+HMDB0035893	Elaterinide	HMDB0035893	5901827	NA		NA	CC(=O)OC(C)(C)/C=C/C(=O)C(C)(C1C(CC2(C1(CC(=O)C3(C2CC=C4C3C=C(C(=O)C4(C)C)OC5C(C(C(C(O5)CO)O)O)O)C)C)C)O)O	Lipids and lipid-like molecules	Steroids and steroid derivatives	Steroidal glycosides	NA
+HMDB0005774	Endomorphin-2	HMDB0005774	5311081	297398		NA	C1C[C@H](N(C1)C(=O)[C@H](CC2=CC=C(C=C2)O)N)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N[C@@H](CC4=CC=CC=C4)C(=O)N	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	NA
+HMDB0029333	Amphibine H	HMDB0029333	51029223	NA		NA	CC(C)C(C(=O)N1CCC2C1C(=O)NC(C(=O)N/C=C/C3=C(C=CC(=C3)O2)OC)CC4=CC=CC=C4)NC(=O)C(C)N(C)C	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	NA
+HMDB0031891	Capsianoside III	HMDB0031891	NA	NA		NA	CC1OC(OCC2OC(OC3C(O)C(O)C(CO)OC3OC\C(C)=C\CC\C(C)=C/CC\C(C)=C\CCC(C)(OC3OC(CO)C(O)C(O)C3OC3OC(CO)C(O)C(O)C3O)C=C)C(O)C(O)C2O)C(O)C(O)C1O	Lipids and lipid-like molecules	Prenol lipids	Terpene glycosides	NA
+C16529	Tetracosanoyl-CoA	HMDB0006526	53477849	NA	C16529	NA	CCCCCCCCCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1C([C@@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)O	Lipids and lipid-like molecules	Fatty Acyls	Fatty acyl thioesters	map01040 Biosynthesis of unsaturated fatty acids; map01212 Fatty acid metabolism
+HMDB0032622	Phenethyl rutinoside	HMDB0032622	NA	NA		NA	CC1OC(OCC2OC(OCCC3=CC=CC=C3)C(O)C(O)C2O)C(O)C(O)C1O	Organooxygen compounds	Carbohydrates and carbohydrate conjugates	Glycosyl compounds	NA
+HMDB0001054	Dolichyl b-D-glucosyl phosphate	HMDB0001054	22833557	15812	C01246	5969	CC(CC/C=C(/C)\CCC=C(C)C)CCOP(=O)(O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O	Lipids and lipid-like molecules	Prenol lipids	Sesquiterpenoids	NA
+HMDB0002379	Mesoporphyrin IX	HMDB0002379	NA	NA		6655	CCC1=C(C)/C2=C/C3=C(CC)C(C)=C(N3)\C=C3/N=C(/C=C4\N=C(\C=C\1/N\2)C(C)=C4CCC(O)=O)C(CCC(O)=O)=C3C	Organoheterocyclic compounds	Tetrapyrroles and derivatives	Porphyrins	NA
+HMDB0032799	(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol	HMDB0032799	NA	NA		NA	CCCCCC(O)CCOC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O	Lipids and lipid-like molecules	Fatty Acyls	Fatty acyl glycosides	NA
+HMDB0014661	Caspofungin	HMDB0014661	2826718	474180		NA	CCC(C)CC(C)CCCCCCCCC(=O)N[C@H]1C[C@H]([C@H](NC(=O)[C@@H]2[C@H](CCN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]3C[C@H](CN3C(=O)[C@@H](NC1=O)[C@@H](C)O)O)[C@@H]([C@H](C4=CC=C(C=C4)O)O)O)[C@@H](CCN)O)O)NCCN)O	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	NA
+HMDB0028958	Lysyl-Phenylalanine	HMDB0028958	NA	NA		NA	NCCCCC(N)C(=O)NC(CC1=CC=CC=C1)C(O)=O	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	NA
+HMDB0007003	CPA(16:0/0:0)	HMDB0007003	9801940	NA		NA	CCCCCCCCCCCCCCCC(=O)OCC1COP(=O)(O1)O	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphates	NA
+HMDB0035386	(24E)-3alpha-Acetoxy-15alpha-hydroxy-23-oxo-7,9(11),24-lanostatrien-26-oic acid	HMDB0035386	NA	NA		NA	CC(CC(=O)\C=C(\C)C(O)=O)C1CC(O)C2(C)C3=CCC4C(C)(C)C(CCC4(C)C3=CCC12C)OC(C)=O	Lipids and lipid-like molecules	Prenol lipids	Triterpenoids	NA
+HMDB0029321	Asparagoside F	HMDB0029321	NA	NA		NA	CC1C2C(CC3C4CCC5CC(CCC5(C)C4CCC23C)OC2OC(CO)C(OC3OC(CO)C(OC4OCC(O)C(O)C4O)C(O)C3O)C(OC3OC(CO)C(O)C(O)C3O)C2O)OC11CCC(C)CO1	Lipids and lipid-like molecules	Steroids and steroid derivatives	Steroidal glycosides	NA
+C08278	Suberic acid	HMDB0000893	10457	9300	C08278	4243	C(CCCC(=O)O)CCC(=O)O	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	NULL
+C06863	Butorphanol	HMDB0014749	5361092	3242	C06863	NA	C1CC[C@]2([C@H]3CC4=C([C@]2(C1)CCN3CC5CCC5)C=C(C=C4)O)O	null	null	null	NULL
+HMDB0003689	Neuroprotectin D1	HMDB0003689	16042541	NA		NA	CC/C=C\C[C@@H](/C=C\C=C\C=C\[C@@H](C/C=C\C/C=C\CCC(=O)O)O)O	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	NA
+HMDB0002639	Sulfolithocholylglycine	HMDB0002639	53477756	NA	C11301	6725	C[C@H](CCC(=O)NCC(=O)O)C1CCC2[C@@]1(CCC3C2CCC4[C@@]3(CC[C@@H](C4)OS(=O)(=O)O)C)C	Lipids and lipid-like molecules	Steroids and steroid derivatives	Bile acids, alcohols and derivatives	NA
+HMDB0014324	Ramipril	HMDB0014324	5362129	8774		NA	CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@@H](C)C(=O)N2[C@H]3CCC[C@H]3C[C@H]2C(=O)O	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	NA
+HMDB0034327	Glucoconvallasaponin B	HMDB0034327	NA	NA		NA	CC1C2C(CC3C4CCC5(OC6OCC(O)C(O)C6O)C(O)C(CC(O)C5(C)C4CCC23C)OC2OC(CO)C(O)C(O)C2O)OC11CCC(C)CO1	Lipids and lipid-like molecules	Steroids and steroid derivatives	Steroidal glycosides	NA
+C00870	4-Nitrophenol	HMDB0001232	980	16836	C00870	4100	C1=CC(=CC=C1[N+](=O)[O-])O	Benzenoids	Phenols	Nitrophenols	map00627 Aminobenzoate degradation; map01120 Microbial metabolism in diverse environments
+HMDB0033369	Hydroxypropyl methyl cellulose	HMDB0033369	13991976	30618		NA	COC1C(C(C(C(O1)CO)OC2C(C(C(C(O2)CO)OC3C(C(C(C(O3)CO)OC4C(C(C(C(O4)CO)O)O)O)O)O)O)O)O)O	null	null	null	NA
+C08933	Camellidin I	HMDB0034926	NA	NA	C08933	NA	CC(=O)OC12CCC(C)(C)CC1C1=CCC3C4(C)CCC(OC5OC(C(OC6OC(CO)C(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(O)C5OC5OC(CO)C(O)C(O)C5O)C(O)=O)C(C)(C)C4CCC3(C)C1(C)CC2=O	null	null	null	NULL
+HMDB0033222	(1R,3S,4S,6R)-6,9-Dihydroxyfenchone 6-O-b-D-glucoside	HMDB0033222	NA	NA		NA	CC1(CO)C2CC(OC3OC(CO)C(O)C(O)C3O)C(C)(C2)C1=O	Lipids and lipid-like molecules	Prenol lipids	Terpene glycosides	NA
+HMDB0002318	Capsianoside I	HMDB0002318	14610541	NA		NA	C/C(=C\CCC(C)(C=C)OC1C(C(C(C(O1)CO)O)O)OC2C(C(C(C(O2)CO)O)O)O)/CC/C=C(\C)/CC(/C=C(\C)/C(=O)O)O	Lipids and lipid-like molecules	Fatty Acyls	Fatty acyl glycosides	NA
+HMDB0012987	Kinetensin 4-8	HMDB0012987	53481568	NA		NA	C1C[C@@H](N(C1)C(=O)[C@H](CC2=CN=CN2)NC(=O)[C@@H](CCCN=C(N)N)N)C(=O)N[C@H](CC3=CC=C(C=C3)O)C(=O)N[C@@H](CC4=CC=CC=C4)C(=O)O	null	null	null	NA
+C16546	N-Desmethyltamoxifen	HMDB0013866	6378383	NA	C16546	NA	CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCNC)/C3=CC=CC=C3	Phenylpropanoids and polyketides	Stilbenes	null	map00982 Drug metabolism - cytochrome P450
+C00746	Oxytocin	HMDB0002865	53477758	NA	C00746	1691	CC[C@H](C)[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N1)CC2=CC=C(C=C2)O)N)C(=O)N3CCCC3C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N)CC(=O)N)CCC(=O)N	null	null	null	NULL
+C07415	Paroxetine	HMDB0014853	43815	7936	C07415	NA	C1CNC[C@H]([C@@H]1C2=CC=C(C=C2)F)COC3=CC4=C(C=C3)OCO4	Organoheterocyclic compounds	Piperidines	Phenylpiperidines	NULL
+HMDB0035700	Lucidenic acid J	HMDB0035700	NA	NA		NA	CC(CCC(O)=O)C1CC(=O)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(O)C(C)(CO)C1CC3=O	Lipids and lipid-like molecules	Prenol lipids	Triterpenoids	NA
+HMDB0008821	PE(14:0/14:0)	HMDB0008821	9852308	NA	C00350	NA	CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCC	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines	NA
+HMDB0002640	N-[(3a,5b,7a,12a)-3,12-dihydroxy-24-oxo-7-(sulfooxy)cholan-24-yl]-Glycine	HMDB0002640	21252317	NA		6726	C[C@H](CCC(=O)NCC(=O)O)[C@H]1CCC2[C@@]1([C@H](CC3C2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)OS(=O)(=O)O)O)C	Lipids and lipid-like molecules	Steroids and steroid derivatives	Bile acids, alcohols and derivatives	NA
+HMDB0033210	Lyciumoside VIII	HMDB0033210	NA	NA		NA	C\C(CC\C=C(/C)C(O)C\C=C(\C)COC1OC(CO)C(O)C(O)C1O)=C/CCC(C)(OC1OC(CO)C(O)C(O)C1O)C=C	Lipids and lipid-like molecules	Prenol lipids	Terpene glycosides	NA
+C06503	Hydrogenobyrinate a,c diamide	METPA0828	NA	NA	C06503	NA	NA	null	null	null	map00860 Porphyrin and chlorophyll metabolism; map01100 Metabolic pathways
+HMDB0033799	26-Desglucoavenacoside A	HMDB0033799	NA	NA		NA	CC1C2C(CC3C4CC=C5CC(CCC5(C)C4CCC23C)OC2OC(CO)C(OC3OC(C)C(O)C(O)C3O)C(O)C2OC2OC(CO)C(O)C(O)C2O)OC11CCC(C)(CO)O1	Lipids and lipid-like molecules	Steroids and steroid derivatives	Steroidal glycosides	NA
+HMDB0030505	Bargustanine	HMDB0030505	NA	NA		NA	COC1=C(OC2=C3C(C(O)C4=CC(O)=C(O)C=C4)N(C)CCC3=CC(OC)=C2O)C=C2CN(C)CCC2=C1	Organoheterocyclic compounds	Isoquinolines and derivatives	Benzylisoquinolines	NA
+HMDB0031757	Notoginsenoside J	HMDB0031757	NA	NA		NA	CC(C)(O)C(O)CCC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(CC21C)OC1OC(CO)C(O)C(O)C1O	Lipids and lipid-like molecules	Prenol lipids	Triterpenoids	NA
+C11641	3',4'-Anhydrovinblastine	METPA1050	NA	NA	C11641	NA	NA	null	null	null	map00901 Indole alkaloid biosynthesis; map01100 Metabolic pathways; map01110 Biosynthesis of secondary metabolites
+HMDB0030011	(1alpha,3beta,20S,22R,24S,25S)-Pubescenin	HMDB0030011	NA	NA		NA	CC(C1CCC2C3CC=C4CC(CC(O)C4(C)C3CCC12C)OC1OC(CO)C(O)C(O)C1O)C1CC2(C)OC2(C)C(=O)O1	Lipids and lipid-like molecules	Steroids and steroid derivatives	Steroid lactones	NA
+HMDB0029569	Dibutyl disulfide	HMDB0029569	12386	NA		NA	CCCCSSCCCC	Organosulfur compounds	Organic disulfides	Dialkyldisulfides	NA
+C06184	Methylisopelletierine	HMDB0030326	86786	NA	C06184	NA	CC(=O)CC1CCCCN1C	Organoheterocyclic compounds	Piperidines	null	map00960 Tropane, piperidine and pyridine alkaloid biosynthesis; map01064 Biosynthesis of alkaloids derived from ornithine, lysine and nicotinic acid; map01110 Biosynthesis of secondary metabolites
+HMDB0000888	Undecanedioic acid	HMDB0000888	15816	73713		5846	C(CCCCC(=O)O)CCCCC(=O)O	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	NA
+HMDB0013020	Neuromedin C	HMDB0013020	53481581	NA		NA	C[C@@H](C(=O)N[C@H](C(C)C)C(=O)NCC(=O)N[C@@H](CC1=CN=CN1)C(=O)NC(CC(C)C)C(=O)N[C@H](CCSC)C(=O)N)NC(=O)[C@@H](CC2=CNC3=CC=CC=C32)NC(=O)[C@H](CC4=CN=CN4)NC(=O)[C@@H](CC(=O)N)NC(=O)CN	Organic Polymers	Polypeptides	null	NA
+C11231	Docetaxel	HMDB0015378	148124	NA	C11231	NA	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O	Lipids and lipid-like molecules	Prenol lipids	Diterpenoids	map04976 Bile secretion
+C00156	4-Hydroxybenzoic acid	HMDB0000500	135	30763	C00156	5486	C1=CC(=CC=C1C(=O)O)O	Benzenoids	Benzene and substituted derivatives	Benzoic acids and derivatives	map00130 Ubiquinone and other terpenoid-quinone biosynthesis; map00360 Phenylalanine metabolism; map00362 Benzoate degradation; map00363 Bisphenol degradation; map00623 Toluene degradation; map00627 Aminobenzoate degradation; map00790 Folate biosynthesis; map01061 Biosynthesis of phenylpropanoids; map01100 Metabolic pathways; map01110 Biosynthesis of secondary metabolites; map01120 Microbial metabolism in diverse environments; map01220 Degradation of aromatic compounds; map07110 Benzoic acid family
+C04327	4-Methyl-5-(2-phosphoethyl)-thiazole	METPA0487	NA	NA	C04327	NA	NA	null	null	null	map00730 Thiamine metabolism; map01100 Metabolic pathways
+HMDB0013017	Neuromedin B (4-10)	HMDB0013017	53481578	NA		NA	C[C@H]([C@H](C(=O)NCC(=O)N[C@H](CC1=CN=CN1)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@H](CCSC)C(=O)N)NC(=O)[C@@H](C)NC(=O)[C@@H](CC3=CNC4=CC=CC=C43)N)O	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	NA
+HMDB0009937	PIP(16:0/22:5(4Z,7Z,10Z,13Z,16Z))	HMDB0009937	53480132	NA	C00626	NA	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@@H]1C([C@@H](C(C(C1O)O)O)OP(=O)(O)O)O)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoinositol phosphates	NA
+C07240	Ritonavir	HMDB0014646	392622	NA	C07240	NA	CC(C)C1=NC(=CS1)CN(C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC2=CC=CC=C2)C[C@@H]([C@H](CC3=CC=CC=C3)NC(=O)OCC4=CN=CS4)O	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	map04976 Bile secretion
+HMDB0009928	PIP(16:0/20:2(11Z,14Z))	HMDB0009928	53480125	NA	C00626	NA	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@@H]1C([C@@H](C(C(C1O)O)O)OP(=O)(O)O)O)OC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoinositol phosphates	NA
+HMDB0035498	Fevicordin B 2-[rhamnosyl-(1->4)-glucosyl-(1->6)-glucoside]	HMDB0035498	NA	NA		NA	CC1OC(OC2C(CO)OC(OCC3OC(OC4=C(O)C(C)=C5CCC6C7(C)CC(O)C(C(C)(O)C(=O)CCC(C)(C)OC(C)=O)C7(C)CC(=O)C6(C)C5=C4)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O	Lipids and lipid-like molecules	Steroids and steroid derivatives	Steroidal glycosides	NA
+HMDB0010036	PIP2(16:0/18:1(11Z))	HMDB0010036	53480227	NA	C00626	NA	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@@H]1C([C@@H](C(C(C1O)O)OP(=O)(O)O)OP(=O)(O)O)O)OC(=O)CCCCCCCCC/C=C\CCCCCC	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoinositol phosphates	NA
+HMDB0002430	(3a,5b,7a)-23-Carboxy-7-hydroxy-24-norcholan-3-yl-b-D-Glucopyranosiduronic acid	HMDB0002430	21252299	NA		6678	C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)OC5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)C)O)C	Lipids and lipid-like molecules	Steroids and steroid derivatives	Steroidal glycosides	NA
+HMDB0032814	Quinquenoside I	HMDB0032814	NA	NA		NA	C\C=C\C(=O)OCC1OC(OC2C(O)C(O)C(CO)OC2OC2CCC3(C)C(CCC4(C)C3CC(O)C3C(CCC43C)C(C)(CCC=C(C)C)OC3OC(CO)C(O)C(O)C3O)C2(C)C)C(O)C(O)C1O	Lipids and lipid-like molecules	Prenol lipids	Triterpenoids	NA
+HMDB0010402	LysoPC(22:5(4Z,7Z,10Z,13Z,16Z))	HMDB0010402	53480473	NA	C04230	NA	CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)O	null	null	null	NA
+HMDB0035822	Glucosyl 6-hydroxy-2,6-dimethyl-2E,7-octadienoate	HMDB0035822	NA	NA		NA	C\C(=C\CCC(C)(O)C=C)C(=O)OC1OC(CO)C(O)C(O)C1O	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates	NA
+HMDB0029953	D-erythro-D-galacto-octitol	HMDB0029953	219890	NA		NA	C(C(C(C(C(C(C(CO)O)O)O)O)O)O)O	Organooxygen compounds	Carbohydrates and carbohydrate conjugates	Sugar alcohols	NA
+HMDB0032823	Corchorusoside A	HMDB0032823	NA	NA		NA	CC1OC(CC(O)C1OC1OC(CO)C(O)C(O)C1O)OC1CCC2(C)C3C(O)CC4(C)C(CCC4(O)C3CCC2(O)C1)C1=CC(=O)OC1	Lipids and lipid-like molecules	Steroids and steroid derivatives	Steroid lactones	NA
+HMDB0014329	Pentagastrin	HMDB0014329	444007	NA		NA	CC(C)COC(=O)NCCC(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N	Organic acids and derivatives	Peptidomimetics	Hybrid peptides	NA
+HMDB0035699	Corosin	HMDB0035699	286498	NA		NA	CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)C(=O)O)O)O)C)C)C2C1(C)O)C)C(=O)O	Lipids and lipid-like molecules	Prenol lipids	Triterpenoids	NA
+C00854	1-Hexanol	HMDB0012971	8103	113441	C00854	NA	CCCCCCO	null	null	null	map00930 Caprolactam degradation; map01120 Microbial metabolism in diverse environments; map01220 Degradation of aromatic compounds
+C05904	Pelargonidin	HMDB0003263	67249	28510	C05904	3399	C1=CC(=CC=C1C2=C(C=C3C(=CC(=CC3=[O+]2)O)O)O)O.[Cl-]	Phenylpropanoids and polyketides	Flavonoids	Hydroxyflavonoids	map00941 Flavonoid biosynthesis; map00942 Anthocyanin biosynthesis; map01100 Metabolic pathways; map01110 Biosynthesis of secondary metabolites
+C03805	DHAP(18:0)	HMDB0011133	440127	36476	C03805	NA	CCCCCCCCCCCCCCCCCC(=O)OCC(=O)COP(=O)(O)O	Organic oxygen compounds	Organooxygen compounds	Carbonyl compounds	NULL
+C01079	Protoporphyrinogen IX	HMDB0001097	121893	15435	C01079	6003	CC1=C2CC3=C(C(=C(N3)CC4=C(C(=C(N4)CC5=C(C(=C(N5)CC(=C1CCC(=O)O)N2)CCC(=O)O)C)C=C)C)C=C)C	Organoheterocyclic compounds	Tetrapyrroles and derivatives	Porphyrins	map00860 Porphyrin and chlorophyll metabolism; map01100 Metabolic pathways; map01110 Biosynthesis of secondary metabolites
+C10827	Tomatine	HMDB0034103	5513	9630	C10827	NA	CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CCC6C5(CCC(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)CO)O)OC9C(C(C(CO9)O)O)O)OC2C(C(C(C(O2)CO)O)O)O)O)O)C)C)C)NC1	null	null	null	map01066 Biosynthesis of alkaloids derived from terpenoid and polyketide
+HMDB0012340	PS(14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	HMDB0012340	52926027	NA		NA	CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoserines	NA
+HMDB0029885	Sorbitan laurate	HMDB0029885	347468	1187364		NA	CCCCCCCCCCCC(=O)OCC(C1C(C(CO1)O)O)O	Lipids and lipid-like molecules	Fatty Acyls	Fatty acid esters	NA
+HMDB0031775	AzI	HMDB0031775	NA	NA		NA	CC1=C(O)C(=O)CC(OC2CC(C)(C)CC3C4=CCC5C6(C)CCC(OC7OC(CO)C(O)C(O)C7OC7OC(CO)C(O)C(O)C7O)C(C)(CO)C6CCC5(C)C4(C)CCC23C(O)=O)O1	Lipids and lipid-like molecules	Prenol lipids	Terpene glycosides	NA
+C08589	Crocin	HMDB0002398	5281233	584345	C08589	NA	C/C(=C\C=C\C=C(\C=C\C=C(\C(=O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO[C@@H]2O[C@@H]([C@H]([C@@H]([C@H]2O)O)O)CO)/C)/C)/C=C/C=C(/C(=O)O[C@@H]3O[C@@H]([C@H]([C@@H]([C@H]3O)O)O)CO[C@@H]4O[C@@H]([C@H]([C@@H]([C@H]4O)O)O)CO)\C	Lipids and lipid-like molecules	Prenol lipids	Diterpenoids	map00999 Biosynthesis of secondary metabolites - unclassified; map01110 Biosynthesis of secondary metabolites
+HMDB0029771	7,8-Dihydrovomifoliol 9-[apiosyl-(1->6)-glucoside]	HMDB0029771	NA	NA		NA	CC(CCC1(O)C(C)=CC(=O)CC1(C)C)OC1OC(COC2OCC(O)(CO)C2O)C(O)C(O)C1O	Lipids and lipid-like molecules	Fatty Acyls	Fatty acyl glycosides	NA
+HMDB0031935	Blumenol C O-[rhamnosyl-(1->6)-glucoside]	HMDB0031935	NA	NA		NA	CC(CCC1C(C)=CC(=O)CC1(C)C)OC1OC(COC2OC(C)C(O)C(O)C2O)C(O)C(O)C1O	Lipids and lipid-like molecules	Fatty Acyls	Fatty acyl glycosides	NA
+HMDB0015672	Cabazitaxel	HMDB0015672	9854073	63584		NA	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)OC)C)OC	Lipids and lipid-like molecules	Prenol lipids	Diterpenoids	NA
+HMDB0032401	(+/-)-3-[(2-methyl-3-furyl)thio]-2-butanone	HMDB0032401	12980878	NA		NA	CC1=C(C=CO1)SC(C)C(=O)C	Organosulfur compounds	Thioethers	Alkylarylthioethers	NA
+C07235	Rifabutin	HMDB0014753	6323490	45367	C07235	NA	C[C@H]1/C=C/C=C(\C(=O)NC2=C3C(=NC4(N3)CCN(CC4)CC(C)C)C5=C6C(=C(C(=C5C2=O)O)C)O[C@@](C6=O)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]1O)C)O)C)OC(=O)C)C)OC)C)/C	null	null	null	NULL
+C17221	Trihomomethionine	METPA1755	NA	NA	C17221	NA	NA	null	null	null	map00966 Glucosinolate biosynthesis; map01210 2-Oxocarboxylic acid metabolism
+HMDB0013576	PGP(18:3(6Z,9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	HMDB0013576	53481894	NA		NA	CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)OC[C@H](COP(=O)(O)OC[C@H](COP(=O)(O)O)O)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoglycerophosphates	NA
+HMDB0012109	5,6-Dihydroxyprostaglandin F1a	HMDB0012109	6439819	NA	C06475	NA	CCCCC[C@@H](/C=C/[C@H]1[C@@H](C[C@@H]([C@@H]1CC(C(CCCC(=O)O)O)O)O)O)O	Lipids and lipid-like molecules	Fatty Acyls	Eicosanoids	NA
+C08771	Nigakihemiacetal B	HMDB0035922	283906	NA	C08771	NA	CC1C=C(C(=O)C2(C1CC3C4(C2C(=O)C(=C(C4CC(O3)O)C)OC)C)C)OC	null	null	null	NULL
+C17470	Asparasaponin II	HMDB0034063	NA	NA	C17470	NA	CC(CCC1(O)OC2CC3C4CC=C5CC(CCC5(C)C4CCC3(C)C2C1C)OC1OC(CO)C(OC2OC(C)C(O)C(O)C2O)C(O)C1O)COC1OC(CO)C(O)C(O)C1O	null	null	null	NULL
+HMDB0030460	Hordatine B glucoside	HMDB0030460	NA	NA		NA	COC1=C2OC(C(C(=O)NCCCCNC(N)=N)C2=CC(\C=C/C(=O)NCCCCNC(N)=N)=C1)C1=CC=C(OC2OC(CO)C(O)C(O)C2O)C=C1	Phenylpropanoids and polyketides	2-arylbenzofuran flavonoids	null	NA
+C01477	Apigenin	HMDB0002124	5280443	18388	C01477	3397	C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O	Phenylpropanoids and polyketides	Flavonoids	Flavones	map00941 Flavonoid biosynthesis; map00943 Isoflavonoid biosynthesis; map00944 Flavone and flavonol biosynthesis; map01061 Biosynthesis of phenylpropanoids; map01100 Metabolic pathways; map01110 Biosynthesis of secondary metabolites
+HMDB0010320	Cortolone-3-glucuronide	HMDB0010320	53480447	NA		NA	CC12CC(CCC1CCC3C2C(=O)CC4(C3CCC4(C(CO)O)O)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O	Lipids and lipid-like molecules	Steroids and steroid derivatives	Steroidal glycosides	NA
+C08945	Ginsenoside Rf	HMDB0034745	4483443	NA	C08945	NA	CC(=CCCC(C)(C1CCC2(C1C(CC3C2(CC(C4C3(CCC(C4(C)C)O)C)OC5C(C(C(C(O5)CO)O)O)OC6C(C(C(C(O6)CO)O)O)O)C)O)C)O)C	null	null	null	NULL
+HMDB0029803	Pentasine	HMDB0029803	NA	NA		NA	NC(CCCC[N+]1=CC(CCC(N)C(O)=O)=CC(CCC(N)C(O)=O)=C1\C=C\C(CCC(N)C(O)=O)CCC(N)C(O)=O)C(O)=O	Organic acids and derivatives	Carboxylic acids and derivatives	Pentacarboxylic acids and derivatives	NA
+C02975	Ethyl 3-oxohexanoate	HMDB0031307	238498	18119	C02975	NA	CCCC(=O)CC(=O)OCC	Organic acids and derivatives	Keto acids and derivatives	Beta-keto acids and derivatives	NULL
+HMDB0013483	PGP(16:0/22:4(7Z,10Z,13Z,16Z))	HMDB0013483	53481803	NA		NA	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@H](COP(=O)(O)O)O)OC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoglycerophosphates	NA
+C01451	Salicin	HMDB0003546	439503	17814	C01451	6948	C1=CC=C(C(=C1)CO)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates	map00010 Glycolysis / Gluconeogenesis; map01061 Biosynthesis of phenylpropanoids; map02060 Phosphotransferase system (PTS); map04742 Taste transduction
+C08491	Jasmonic acid	HMDB0032797	5281166	18292	C08491	NA	CC/C=C\C[C@@H]1[C@H](CCC1=O)CC(=O)O	Lipids and lipid-like molecules	Fatty Acyls	Lineolic acids and derivatives	map00592 alpha-Linolenic acid metabolism; map01060 Biosynthesis of plant secondary metabolites; map01070 Biosynthesis of plant hormones; map01100 Metabolic pathways; map01110 Biosynthesis of secondary metabolites; map04075 Plant hormone signal transduction
+HMDB0006991	CDP-DG(18:1(11Z)/20:4(5Z,8Z,11Z,14Z))	HMDB0006991	53477934	NA		NA	CCCCCC/C=C\CCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@@H](C([C@@H](O1)N2C=CC(=NC2=O)N)O)O)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC	Lipids and lipid-like molecules	Glycerophospholipids	CDP-glycerols	NA
+HMDB0013848	4-Hydroxyvalsartan	HMDB0013848	9911647	NA		NA	CC(C)[C@@H](C(=O)O)N(CC1=CC=C(C=C1)C2=CC=CC=C2C3=NNN=N3)C(=O)CCC(C)O	Organoheterocyclic compounds	Azoles	Tetrazoles	NA
+C00390	QH2	HMDB0001304	5280344	NA	C00390	6146	CC1=C(C(=C(C(=C1O)OC)OC)O)C/C=C(\C)/CCC=C(C)C	Lipids and lipid-like molecules	Prenol lipids	Quinone and hydroquinone lipids	map00190 Oxidative phosphorylation; map01100 Metabolic pathways
+C04555	Dehydroepiandrosterone sulfate	HMDB0001032	12594	16814	C04555	4095	C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CC=C4[C@@]3(CC[C@@H](C4)OS(=O)(=O)O)C	Lipids and lipid-like molecules	Steroids and steroid derivatives	Sulfated steroids	map00140 Steroid hormone biosynthesis; map04976 Bile secretion
+C05962	6-Ketoprostaglandin E1	HMDB0004241	5280889	28269	C05962	7036	CCCCC[C@@H](/C=C/[C@H]1[C@@H](CC(=O)[C@@H]1CC(=O)CCCCC(=O)O)O)O	Lipids and lipid-like molecules	Fatty Acyls	Eicosanoids	map00590 Arachidonic acid metabolism; map01100 Metabolic pathways
+HMDB0032836	Lucyoside R	HMDB0032836	NA	NA		NA	CC1(C)CC2C3=CCC4C5(C)CC(O)C(OC6OC(CO)C(O)C(O)C6O)C(C)(CO)C5CCC4(C)C3(C)CCC2(CC1O)C(O)=O	Lipids and lipid-like molecules	Prenol lipids	Terpene glycosides	NA
+C01531	Sulindac	HMDB0014743	1548887	9352	C01531	NA	CC\1=C(C2=C(/C1=C\C3=CC=C(C=C3)S(=O)C)C=CC(=C2)F)CC(=O)O	Benzenoids	Indenes and isoindenes	null	NULL
+HMDB0004889	Ganglioside GA2 (d18:1/9Z-18:1)	HMDB0004889	21252325	NA	C06135	7146	CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)NC(=O)C)O)O)O)O)NC(=O)CCCCCCC/C=C\CCCCCCCC)O	Lipids and lipid-like molecules	Sphingolipids	Glycosphingolipids	NA
+HMDB0029285	Avenanthramide 1s	HMDB0029285	10947890	NA		NA	COC1=CC(=CC(=C1O)OC)/C=C/C(=O)NC2=CC=CC=C2C(=O)O	Phenylpropanoids and polyketides	Cinnamic acids and derivatives	Hydroxycinnamic acids and derivatives	NA
+HMDB0013507	PGP(18:0/18:2(9Z,12Z))	HMDB0013507	53481825	NA		NA	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@H](COP(=O)(O)O)O)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoglycerophosphates	NA
+C02061	Plastoquinone 8	HMDB0030129	NA	NA	C02061	NA	CC(C)=CCC\C(C)=C\CC\C(C)=C/CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC1=CC(=O)C(C)=C(C)C1=O	null	null	null	map00195 Photosynthesis; map01100 Metabolic pathways
+C10454	Methyleugenol	HMDB0031864	7127	4918	C10454	NA	COC1=C(C=C(C=C1)CC=C)OC	Benzenoids	Benzene and substituted derivatives	Methoxybenzenes	map00940 Phenylpropanoid biosynthesis
+C02571	L-Acetylcarnitine	HMDB0000201	1	NA	C02571	5213	CC(=O)OC(CC(=O)[O-])C[N+](C)(C)C	null	null	null	map04931 Insulin resistance
+HMDB0011164	L-beta-aspartyl-L-glutamic acid	HMDB0011164	25207301	NA		NA	C(CC(=O)O)C(C(=O)O)NC(=O)CC(C(=O)O)N	Organic acids and derivatives	Peptidomimetics	Hybrid peptides	NA
+HMDB0033065	(x)-1,2-Propanediol 1-O-b-D-glucopyranoside	HMDB0033065	21225084	NA		NA	CC(COC1C(C(C(C(O1)CO)O)O)O)O	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates	NA
+HMDB0033029	delta5-Demissine	HMDB0033029	NA	NA		NA	CC1C2CCC(C)CN2C2CC3C4CC=C5CC(CCC5(C)C4CCC3(C)C12)OC1OC(CO)C(OC2OC(CO)C(O)C(OC3OCC(O)C(O)C3O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C1O	Lipids and lipid-like molecules	Steroids and steroid derivatives	Steroidal glycosides	NA
+C01545	Octanal	HMDB0001140	454	17935	C01545	6033	CCCCCCCC=O	Organic oxygen compounds	Organooxygen compounds	Carbonyl compounds	NULL
+C09489	Lactucin	HMDB0035814	3756497	NA	C09489	NA	CC1=C2C(C3C(C(C1)O)C(=C)C(=O)O3)C(=CC2=O)CO	null	null	null	NULL
+HMDB0012881	Acetylcarnosine	HMDB0012881	10221026	NA		NA	CC(=O)NCCC(=O)N[C@H](CC1=CN=CN1)C(=O)O	Organic acids and derivatives	Peptidomimetics	Hybrid peptides	NA
+C04741	Prostaglandin E1	HMDB0001442	5280723	15544	C04741	416	CCCCC[C@@H](/C=C/[C@H]1[C@@H](CC(=O)[C@@H]1CCCCCCC(=O)O)O)O	Lipids and lipid-like molecules	Fatty Acyls	Eicosanoids	NULL
+HMDB0013272	N-Lauroylglycine	HMDB0013272	346152	74441		NA	CCCCCCCCCCCC(=O)NCC(=O)O	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	NA
+C16506	(10S)-Juvenile hormone III acid diol	METPA1793	NA	NA	C16506	NA	NA	null	null	null	map00981 Insect hormone biosynthesis
+HMDB0014018	4-Hydroxypropofol	HMDB0014018	3014064	NA		NA	CC(C)C1=CC(=CC(=C1O)C(C)C)O	Benzenoids	Benzene and substituted derivatives	Cumenes	NA
+C07350	3-Methyl-1-(2,4,6-trihydroxyphenyl)-1-butanone	HMDB0033798	441269	15951	C07350	NA	CC(C)CC(=O)C1=C(C=C(C=C1O)O)O	Benzenoids	Benzene and substituted derivatives	Phenols and derivatives	NULL
+C07402	Procarbazine	HMDB0015299	4915	366225	C07402	NA	CC(C)NC(=O)C1=CC=C(C=C1)CNNC	Benzenoids	Benzene and substituted derivatives	Benzoic acids and derivatives	NULL
+C06427	Alpha-Linolenic acid	HMDB0001388	5280934	27432	C06427	6208	CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O	Lipids and lipid-like molecules	Fatty Acyls	Lineolic acids and derivatives	map00592 alpha-Linolenic acid metabolism; map01040 Biosynthesis of unsaturated fatty acids; map01060 Biosynthesis of plant secondary metabolites; map01070 Biosynthesis of plant hormones; map01100 Metabolic pathways; map01110 Biosynthesis of secondary metabolites
+C00639	Prostaglandin F2a	HMDB0001139	5283078	15553	C00639	6032	CCCCC[C@@H](/C=C/[C@H]1[C@@H](C[C@@H]([C@@H]1C/C=C/CCCC(=O)O)O)O)O	null	null	null	map00590 Arachidonic acid metabolism; map01100 Metabolic pathways; map04072 Phospholipase D signaling pathway; map04080 Neuroactive ligand-receptor interaction; map04726 Serotonergic synapse; map04913 Ovarian steroidogenesis; map04921 Oxytocin signaling pathway; map04976 Bile secretion
+HMDB0000569	Deoxypyridinoline	HMDB0000569	53477703	89510		5552	C1=C(C(=C(C=[N+]1CCCC[C@@H](C(=O)O)N)O)C[C@@H](C(=O)O)N)CC[C@@H](C(=O)[O-])N	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	NA
+C09870	(+/-)-Menthyl acetate	HMDB41264	220674	NA	C09870	NA	C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)C)C(C)C	null	null	null	NULL
+C05484	Pregnanediol	HMDB0004025	3032822	NA	C05484	7001	CC[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4[C@@]3(CCC(C4)(O)O)C)C	null	null	null	map00140 Steroid hormone biosynthesis; map01100 Metabolic pathways
+C02278	Lauric aldehyde	HMDB0033933	8194	27836	C02278	NA	CCCCCCCCCCCC=O	Organic oxygen compounds	Organooxygen compounds	Carbonyl compounds	NULL
+HMDB0032358	Lauroyl diethanolamide	HMDB0032358	8430	NA		NA	CCCCCCCCCCCC(=O)N(CCO)CCO	Lipids and lipid-like molecules	Fatty Acyls	Fatty amides	NA
+C00400	Menthol	HMDB0003352	16666	15409	C00400	NA	C[C@@H]1CC[C@H]([C@@H](C1)O)C(C)C	Lipids and lipid-like molecules	Prenol lipids	Monoterpenoids	map00902 Monoterpenoid biosynthesis; map01110 Biosynthesis of secondary metabolites; map04750 Inflammatory mediator regulation of TRP channels
+C00535	Testosterone	HMDB0000234	6013	17347	C00535	390	C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=CC(=O)CC[C@]34C	Lipids and lipid-like molecules	Steroids and steroid derivatives	Androstane steroids	map00140 Steroid hormone biosynthesis; map00984 Steroid degradation; map01100 Metabolic pathways; map01120 Microbial metabolism in diverse environments; map01522 Endocrine resistance; map04913 Ovarian steroidogenesis; map05200 Pathways in cancer; map05215 Prostate cancer; map07226 Progesterone, androgen and estrogen receptor agonists/antagonists
+C05468	5b-Cyprinol sulfate	HMDB0006888	53477904	2149	C05468	NA	CC(CCCC(CO)COS(=O)(=O)O)C1CCC2[C@@]1([C@@H](CC3C2[C@@H](CC4[C@@]3(CC[C@H](C4)O)C)O)O)C	null	null	null	map00120 Primary bile acid biosynthesis
+C09289	Alantolactone	HMDB0035906	327378	2540	C09289	NA	CC1CCCC2(C1=CC3C(C2)OC(=O)C3=C)C	null	null	null	NULL
+C01875	2-Undecanone	HMDB0033713	8163	17700	C01875	NA	CCCCCCCCCC(=O)C	Organic oxygen compounds	Organooxygen compounds	Carbonyl compounds	NULL
+HMDB0010208	15,16-DiHODE	HMDB0010208	16061068	NA		NA	CCC(C(C/C=C\C/C=C\CCCCCCCC(=O)O)O)O	Lipids and lipid-like molecules	Fatty Acyls	Lineolic acids and derivatives	NA
+C07052	Ipratropium bromide	HMDB0014476	NA	46659	C07052	NA	[Br-].[H][C@]12CC[C@]([H])(C[C@@H](C1)OC(=O)C(CO)C1=CC=CC=C1)[N@+]2(C)C(C)C	null	null	null	NULL
+C05464	Deoxycholic acid glycine conjugate	HMDB0000631	22833539	27471	C05464	5604	C[C@H](CCC(=O)NCC(=O)O)[C@H]1CCC2[C@@]1([C@H](CC3C2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C	null	null	null	NULL
+HMDB0015552	Acepromazine	HMDB0015552	6077	44932		NA	CC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3N2CCCN(C)C	Organoheterocyclic compounds	Benzothiazines	Phenothiazines	NA
+HMDB0030897	Lucidenolactone	HMDB0030897	NA	NA		NA	CC1(CCC(=O)O1)C1CC(=O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1CC3O	Lipids and lipid-like molecules	Prenol lipids	Triterpenoids	NA
+C00695	Cholic acid	HMDB0000619	221493	16359	C00695	206	C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C	Lipids and lipid-like molecules	Steroids and steroid derivatives	Bile acids, alcohols and derivatives	map00120 Primary bile acid biosynthesis; map00121 Secondary bile acid biosynthesis; map01100 Metabolic pathways; map04976 Bile secretion
+C07913	Xylometazoline	HMDB0015640	5709	214810	C07913	NA	CC1=CC(=CC(=C1CC2=NCCN2)C)C(C)(C)C	Benzenoids	Benzene and substituted derivatives	Phenylpropanes	NULL
+C00523	Androsterone	HMDB0000031	12306765	16032	C00523	2797	C[C@]12CCC(C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C)O	Lipids and lipid-like molecules	Steroids and steroid derivatives	Androstane steroids	map00140 Steroid hormone biosynthesis
+C09715	Rishitin	HMDB0035593	534260	NA	C09715	NA	CC1C(C(CC2=C1CC(CC2)C(=C)C)O)O	null	null	null	NULL
+C06082	(S)-Abscisic acid	HMDB0035140	5702609	18743	C06082	NA	CC1=CC(=O)CC([C@]1(/C=C/C(=C/C(=O)O)/C)O)(C)C	null	null	null	map00906 Carotenoid biosynthesis; map01060 Biosynthesis of plant secondary metabolites; map01062 Biosynthesis of terpenoids and steroids; map01070 Biosynthesis of plant hormones; map01100 Metabolic pathways; map01110 Biosynthesis of secondary metabolites; map04075 Plant hormone signal transduction
+HMDB0030924	2-Tetradecanone	HMDB0030924	75364	NA		NA	CCCCCCCCCCCCC(=O)C	Organic oxygen compounds	Organooxygen compounds	Carbonyl compounds	NA
+C07484	Zaleplon	HMDB0015097	5719	10102	C07484	NA	CCN(C1=CC=CC(=C1)C2=CC=NC3=C(C=NN23)C#N)C(=O)C	Organoheterocyclic compounds	Diazines	Pyrimidines and pyrimidine derivatives	NULL
+C00059	Sulfate	HMDB0001448	1117	16189	C00059	3233	[O-]S(=O)(=O)[O-]	Homogeneous non-metal compounds	Non-metal oxoanionic compounds	Non-metal sulfates	map00230 Purine metabolism; map00261 Monobactam biosynthesis; map00270 Cysteine and methionine metabolism; map00920 Sulfur metabolism; map01100 Metabolic pathways; map01120 Microbial metabolism in diverse environments; map01130 Biosynthesis of antibiotics; map02010 ABC transporters; map02024 Quorum sensing
+HMDB0031688	Hexyl glucoside	HMDB0031688	4462283	NA		NA	CCCCCCOC1C(C(C(C(O1)CO)O)O)O	Lipids and lipid-like molecules	Fatty Acyls	Fatty acyl glycosides	NA
+C01227	Dehydroepiandrosterone	HMDB0000077	9860744	220467	C01227	5133	C[C@]12CCC3C(C1CCC2=O)CC=C4[C@@]3(CC[C@@H](C4)O)C	Lipids and lipid-like molecules	Steroids and steroid derivatives	Androstane steroids	map00140 Steroid hormone biosynthesis; map00984 Steroid degradation; map01100 Metabolic pathways; map01120 Microbial metabolism in diverse environments; map04913 Ovarian steroidogenesis; map05200 Pathways in cancer; map05215 Prostate cancer
+HMDB0030869	Wistin	HMDB0030869	12444947	NA		NA	COC1=CC=C(C=C1)C2=COC3=CC(=C(C=C3C2=O)OC)OC4C(C(C(C(O4)CO)O)O)O	Phenylpropanoids and polyketides	Isoflavonoids	Isoflavonoid O-glycosides	NA
+C14752	Zeranol	HMDB0032702	22283	NA	C14752	NA	CC1CCCC(CCCCCC2=CC(=CC(=C2C(=O)O1)O)O)O	null	null	null	NULL
+HMDB0030974	8-Acetoxy-4-acoren-3-one	HMDB0030974	NA	NA		NA	CC(C)C1C(CC(C)C11CC=C(C)C(=O)C1)OC(C)=O	Organic oxygen compounds	Organooxygen compounds	Carbonyl compounds	NA
+C01948	Pentadecanal	HMDB0031078	17697	17302	C01948	NA	CCCCCCCCCCCCCCC=O	Lipids and lipid-like molecules	Fatty Acyls	Fatty aldehydes	NULL
+C00427	Prostaglandin H2	HMDB0001381	445049	15554	C00427	3495	CCCCC[C@@H](/C=C/[C@H]1[C@H]2C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)OO2)O	Lipids and lipid-like molecules	Fatty Acyls	Eicosanoids	map00590 Arachidonic acid metabolism; map01100 Metabolic pathways; map04611 Platelet activation; map04723 Retrograde endocannabinoid signaling; map04726 Serotonergic synapse; map04921 Oxytocin signaling pathway; map07034 Eicosanoids; map07035 Prostaglandins
+HMDB0030597	Umbelliprenin	HMDB0030597	1781412	NA		NA	CC(=CCC/C(=C\CC/C(=C/COC1=CC2=C(C=C1)C=CC(=O)O2)/C)/C)C	Lipids and lipid-like molecules	Prenol lipids	Terpene lactones	NA
+C08007	Buprenorphine	HMDB0015057	644073	3216	C08007	NA	C[C@]([C@H]1C[C@@]23CC[C@@]1([C@H]4[C@@]25CCN([C@@H]3CC6=C5C(=C(C=C6)O)O4)CC7CC7)OC)(C(C)(C)C)O	Benzenoids	Phenanthrenes and derivatives	null	NULL
+C08362	Palmitoleic acid	HMDB0003229	445638	28716	C08362	188	CCCCCC/C=C\CCCCCCCC(=O)O	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	map00061 Fatty acid biosynthesis
+C07532	Ropivacaine	HMDB0014441	175805	8890	C07532	NA	CCCN1CCCC[C@H]1C(=O)NC2=C(C=CC=C2C)C	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	NULL
+C02528	Chenodeoxycholic acid	HMDB0000518	10133	16755	C02528	207	C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C	Lipids and lipid-like molecules	Steroids and steroid derivatives	Bile acids, alcohols and derivatives	map00120 Primary bile acid biosynthesis; map00121 Secondary bile acid biosynthesis; map01100 Metabolic pathways; map04976 Bile secretion
+C04036	LysoPA(16:0/0:0)	HMDB0007853	6419701	15799	C04036	NA	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)O	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphates	NULL
+HMDB0033694	trans-Caffeic acid [apiosyl-(1->6)-glucosyl] ester	HMDB0033694	NA	NA		NA	OCC1(O)COC(OCC2OC(OC(=O)\C=C\C3=CC(O)=C(O)C=C3)C(O)C(O)C2O)C1O	Phenylpropanoids and polyketides	Cinnamic acids and derivatives	Hydroxycinnamic acids and derivatives	NA
+C13870	Glycerol tributanoate	HMDB0031094	6050	296488	C13870	NA	CCCC(=O)OCC(COC(=O)CCC)OC(=O)CCC	Lipids and lipid-like molecules	Glycerolipids	Triradylcglycerols	NULL
+C07699	Nisoldipine	HMDB0014545	4499	654892	C07699	NA	CC1=C(C(C(=C(N1)C)C(=O)OCC(C)C)C2=CC=CC=C2[N+](=O)[O-])C(=O)OC	Organoheterocyclic compounds	Pyridines and derivatives	Hydropyridines	NULL
+HMDB0033290	Junosmarin	HMDB0033290	NA	NA		NA	CC(C)CC(=O)OC1C(O)C2=C(OC1(C)C)C=CC1=C2OC(=O)C=C1	Phenylpropanoids and polyketides	Coumarins and derivatives	Pyranocoumarins	NA
+C04778	N1-(5-Phospho-a-D-ribosyl)-5,6-dimethylbenzimidazole	HMDB0003882	444941	16837	C04778	NA	CC1=CC2=C(C=C1C)N(C=N2)[C@@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O	Nucleosides, nucleotides, and analogues	Benzimidazole ribonucleosides and ribonucleotides	null	map00860 Porphyrin and chlorophyll metabolism; map01100 Metabolic pathways
+C17867	Cyclomorusin	HMDB0030687	5481969	1242613	C17867	NA	CC(=CC1C2=C(C3=C(O1)C=C(C=C3)O)OC4=C5C=CC(OC5=CC(=C4C2=O)O)(C)C)C	Phenylpropanoids and polyketides	Flavonoids	Pyranoflavonoids	NULL
+C05983	Propinol adenylate	HMDB0006806	440863	62415	C05983	NA	CCC(=O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)O	Nucleosides, nucleotides, and analogues	Purine nucleotides	Purine ribonucleotides	map00640 Propanoate metabolism
+C05472	Tetrahydrocortisol	HMDB0000949	44725717	NA	C05472	1914	C[C@]12CC[C@H](CC1CCC3C2[C@H](C[C@]4(C3CC[C@@]4(C(=O)CO)O)C)O)O	null	null	null	map00140 Steroid hormone biosynthesis
+HMDB0032549	N-Undecylbenzenesulfonic acid	HMDB0032549	38222	NA		NA	CCCCCCCCCCCC1=CC=C(C=C1)S(=O)(=O)O	Benzenoids	Benzene and substituted derivatives	Benzenesulfonic acids and derivatives	NA
+C07427	Perphenazine	HMDB0014988	4748	8028	C07427	NA	C1CN(CCN1CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl)CCO	Organoheterocyclic compounds	Benzothiazines	Phenothiazines	NULL
+C00307	Citicoline	HMDB0001413	13804	16436	C00307	6229	C[N+](C)(C)CCOP(=O)([O-])OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=NC2=O)N)O)O	Nucleosides, nucleotides, and analogues	Pyrimidine nucleotides	Pyrimidine ribonucleotides	map00564 Glycerophospholipid metabolism; map01100 Metabolic pathways; map05231 Choline metabolism in cancer
+HMDB0034687	Resveratrol 4'-(6-galloylglucoside)	HMDB0034687	NA	NA		NA	OC1C(COC(=O)C2=CC(O)=C(O)C(O)=C2)OC(OC2=CC=C(\C=C/C3=CC(O)=CC(O)=C3)C=C2)C(O)C1O	Phenylpropanoids and polyketides	Stilbenes	Stilbene glycosides	NA
+HMDB0011475	LysoPE(0:0/18:1(11Z))	HMDB0011475	53480924	NA		NA	CCCCCC/C=C\CCCCCCCCCC(=O)O[C@H](CO)COP(=O)(O)OCCN	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines	NA
+HMDB0031948	1-Isobutanol	HMDB0031948	NA	NA		NA	COC(=O)NCC1=CC=C(OC2OC(C)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)C=C1	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates	NA
+HMDB0029340	Ceanothine C	HMDB0029340	NA	NA		NA	CC(C)CC1NC(=O)C(NC(=O)C2CCCN2C)C(OC2=CC=C(C=C2)\C=C/NC1=O)C(C)C	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	NA
+HMDB0030053	Neogrifolin	HMDB0030053	9874426	NA		NA	CC1=CC(=CC(=C1C/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)O)O	Lipids and lipid-like molecules	Prenol lipids	Sesquiterpenoids	NA
+HMDB0035779	Armillane	HMDB0035779	NA	NA		NA	CC1=CC(C(=O)OC2CC3(C)C4CC(C)(C)CC4C(O)C(CO)C23O)=C(O)C=C1O	Lipids and lipid-like molecules	Prenol lipids	Diterpenoids	NA
+C01136	S-Acetyldihydrolipoamide	HMDB0001526	1076	16807	C01136	6299	CC(=O)SC(CCCCC(=O)N)CCS	Lipids and lipid-like molecules	Fatty Acyls	Fatty amides	NULL
+HMDB0029507	Mulberrin	HMDB0029507	5481958	544480		NA	CC(=CCC1=C(C=C(C2=C1OC(=C(C2=O)CC=C(C)C)C3=C(C=C(C=C3)O)O)O)O)C	Phenylpropanoids and polyketides	Flavonoids	Flavones	NA
+HMDB0029250	Pigment A aglycone	HMDB0029250	NA	NA		NA	COC1=CC(=CC(OC)=C1O)C1=[O+]C2=C3C(OC(=CC3=C1O)C1=CC=C(O)C=C1)=CC(O)=C2	Phenylpropanoids and polyketides	Flavonoids	O-methylated flavonoids	NA
+C08604	Cyanidin 3-glucoside	HMDB0030684	4481259	28426	C08604	NA	C1=CC(=C(C=C1C2=C(C=C3C(=CC(=CC3=[O+]2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O)O	Phenylpropanoids and polyketides	Flavonoids	Flavonoid glycosides	map00942 Anthocyanin biosynthesis
+HMDB0011483	LysoPE(0:0/20:2(11Z,14Z))	HMDB0011483	53480932	131692		NA	CCCCC/C=C\C/C=C\CCCCCCCCCC(=O)O[C@H](CO)COP(=O)(O)OCCN	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines	NA
+HMDB0011494	LysoPE(0:0/22:5(4Z,7Z,10Z,13Z,16Z))	HMDB0011494	53480943	NA		NA	CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O[C@H](CO)COP(=O)(O)OCCN	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines	NA
+HMDB0011484	LysoPE(0:0/20:3(11Z,14Z,17Z))	HMDB0011484	53480933	NA		NA	CC/C=C\C/C=C\C/C=C\CCCCCCCCCC(=O)O[C@H](CO)COP(=O)(O)OCCN	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines	NA
+HMDB0014607	Sodium Tetradecyl Sulfate	HMDB0014607	5248	782257		NA	CCCCCCCCCCCCCCOS(=O)(=O)O	Organic acids and derivatives	Organic sulfuric acids and derivatives	Sulfuric acid esters	NA
+HMDB0031977	Methyl (9Z)-6'-oxo-6,5'-diapo-6-carotenoate	HMDB0031977	NA	NA		NA	COC(=O)\C=C\C(\C)=C/C=C/C(/C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C(C)=O	Lipids and lipid-like molecules	Prenol lipids	Diterpenoids	NA
+C00777	All-trans-retinoic acid	HMDB0001852	444795	15367	C00777	2277	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	Lipids and lipid-like molecules	Prenol lipids	Retinoids	map00830 Retinol metabolism; map01100 Metabolic pathways; map04659 Th17 cell differentiation; map04672 Intestinal immune network for IgA production; map05200 Pathways in cancer; map05222 Small cell lung cancer; map05223 Non-small cell lung cancer; map05226 Gastric cancer
+HMDB0034496	6,10,14-Trimethyl-2-methylenepentadecanal	HMDB0034496	23286475	NA		NA	CC(C)CCCC(C)CCCC(C)CCCC(=C)C=O	Lipids and lipid-like molecules	Prenol lipids	Sesquiterpenoids	NA
+HMDB0031754	Nequinate	HMDB0031754	26383	NA		NA	CCCCC1=C(C=C2C(=C1)C(=O)C(=CN2)C(=O)OC)OCC3=CC=CC=C3	Organoheterocyclic compounds	Quinolines and derivatives	Quinolones and derivatives	NA
+C07010	Fluphenazine	HMDB0014761	3372	5123	C07010	NA	C1CN(CCN1CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F)CCO	Organoheterocyclic compounds	Benzothiazines	Phenothiazines	NULL
+C07251	Nalbuphine	HMDB0014982	5311304	7454	C07251	NA	C1CC(C1)CN2CC[C@]34[C@@H]5[C@H](CC[C@]3([C@H]2CC6=C4C(=C(C=C6)O)O5)O)O	Benzenoids	Phenanthrenes and derivatives	null	NULL
+HMDB0014758	Triamcinolone	HMDB0014758	31307	481691		NA	C[C@]12C[C@@H]([C@]3([C@H]([C@@H]1C[C@H]([C@@]2(C(=O)CO)O)O)CCC4=CC(=O)C=C[C@@]43C)F)O	Lipids and lipid-like molecules	Steroids and steroid derivatives	Hydroxysteroids	NA
+C08157	Testosterone enanthate	HMDB0005814	9416	9464	C08157	NA	CCCCCCC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C	Lipids and lipid-like molecules	Steroids and steroid derivatives	Steroid esters	NULL
+HMDB0011493	LysoPE(0:0/22:4(7Z,10Z,13Z,16Z))	HMDB0011493	53480942	NA		NA	CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)O[C@H](CO)COP(=O)(O)OCCN	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines	NA
+C10482	1-(4-Hydroxy-3-methoxyphenyl)-3-decanone	HMDB0030801	94378	NA	C10482	NA	CCCCCCCC(=O)CCC1=CC(=C(C=C1)O)OC	Benzenoids	Benzene and substituted derivatives	Phenols and derivatives	NULL
+C02197	Testolactone	HMDB0015031	13769	9460	C02197	NA	C[C@]12CC[C@H]3[C@H]([C@@H]1CCC(=O)O2)CCC4=CC(=O)C=C[C@]34C	Organoheterocyclic compounds	Naphthopyrans	null	NULL
+C00712	Oleic acid	HMDB0000207	445639	16196	C00712	190	CCCCCCCC/C=C\CCCCCCCC(=O)O	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	map00061 Fatty acid biosynthesis; map00073 Cutin, suberine and wax biosynthesis; map01040 Biosynthesis of unsaturated fatty acids; map01060 Biosynthesis of plant secondary metabolites; map04212 Longevity regulating pathway - worm
+HMDB0011482	LysoPE(0:0/20:1(11Z))	HMDB0011482	53480931	NA		NA	CCCCCCCC/C=C\CCCCCCCCCC(=O)O[C@H](CO)COP(=O)(O)OCCN	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines	NA
+HMDB0002815	LysoPC(18:1(9Z))	HMDB0002815	16081932	NA	C04230	184	CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)O	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphocholines	NA
+C13766	Emopamil	HMDB0012224	71225	388533	C13766	NA	CC(C)C(CCCN(C)CCC1=CC=CC=C1)(C#N)C2=CC=CC=C2	Benzenoids	Benzene and substituted derivatives	Phenylbutylamines	NULL
+HMDB0011481	LysoPE(0:0/20:0)	HMDB0011481	53480930	131691		NA	CCCCCCCCCCCCCCCCCCCC(=O)O[C@H](CO)COP(=O)(O)OCCN	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines	NA
+C06426	Gamma-Linolenic acid	HMDB0003073	5280933	28661	C06426	386	CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)O	Lipids and lipid-like molecules	Fatty Acyls	Lineolic acids and derivatives	map00591 Linoleic acid metabolism; map01040 Biosynthesis of unsaturated fatty acids; map01100 Metabolic pathways
+HMDB0034381	Methyl linoleate	HMDB0034381	5284421	69080		NA	CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC	Lipids and lipid-like molecules	Fatty Acyls	Lineolic acids and derivatives	NA
+HMDB0000572	Desmosine	HMDB0000572	53477704	37628		5554	C1=C(C(=C(C=[N+]1CCCCC(C(=O)O)N)CC[C@@H](C(=O)O)N)CCC[C@@H](C(=O)O)N)CC[C@@H](C(=O)O)N	Organic acids and derivatives	Carboxylic acids and derivatives	Tetracarboxylic acids and derivatives	NA
+C00762	Cortisone	HMDB0002802	222786	16962	C00762	271	C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2C(=O)C[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C	Lipids and lipid-like molecules	Steroids and steroid derivatives	Hydroxysteroids	map00140 Steroid hormone biosynthesis; map01100 Metabolic pathways; map04960 Aldosterone-regulated sodium reabsorption; map05200 Pathways in cancer; map05215 Prostate cancer; map07225 Glucocorticoid and mineralocorticoid receptor agonists/antagonists
+C07861	Tridihexethyl	HMDB0014648	20299	9701	C07861	NA	CC[N+](CC)(CC)CCC(C1CCCCC1)(C2=CC=CC=C2)O	Organic nitrogen compounds	Organonitrogen compounds	Amines	NULL
+HMDB0033950	Parakmerin A	HMDB0033950	NA	NA		NA	COC1=C(O)C=CC(=C1)C1OC2=C(C=C(\C=C\C)C=C2)C1C	Phenylpropanoids and polyketides	2-arylbenzofuran flavonoids	null	NA
+C00143	5,10-Methylene-THF	HMDB0001533	439175	15636	C00143	6304	C1[C@@H]2CN(CN2C3=C(N1)NC(=NC3=O)N)C4=CC=C(C=C4)C(=O)NC(CCC(=O)O)C(=O)O	Organoheterocyclic compounds	Pteridines and derivatives	Pterins and derivatives	map00260 Glycine, serine and threonine metabolism; map00670 One carbon pool by folate; map00680 Methane metabolism; map00720 Carbon fixation pathways in prokaryotes; map01100 Metabolic pathways; map01120 Microbial metabolism in diverse environments; map01200 Carbon metabolism; map01523 Antifolate resistance
+C00415	Dihydrofolic acid	HMDB0001056	98792	15633	C00415	5970	C1C(=NC2=C(N1)NC(=NC2=O)N)CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	map00670 One carbon pool by folate; map00790 Folate biosynthesis; map01061 Biosynthesis of phenylpropanoids; map01100 Metabolic pathways; map01523 Antifolate resistance
+HMDB0030684	Cyanidin 3-glucoside	HMDB0030684	4481259	28426	C08604	NA	C1=CC(=C(C=C1C2=C(C=C3C(=CC(=CC3=[O+]2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O)O	Phenylpropanoids and polyketides	Flavonoids	Flavonoid glycosides	map00942 Anthocyanin biosynthesis
+HMDB0005773	Endomorphin-1	HMDB0005773	5311080	239449		NA	C1C[C@H](N(C1)C(=O)[C@H](CC2=CC=C(C=C2)O)N)C(=O)N[C@@H](CC3=CNC4=CC=CC=C43)C(=O)N[C@@H](CC5=CC=CC=C5)C(=O)N	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	NA
+HMDB0036013	(R)-3,4-Dihydro-2-(4,8,12-trimethyl-3,7,11-tridecatrienyl)-2H-1-benzopyran-6-ol	HMDB0036013	9842235	NA		NA	CC(=CCC/C(=C/CC/C(=C/CCC1CCC2=C(O1)C=CC(=C2)O)/C)/C)C	Lipids and lipid-like molecules	Prenol lipids	Diterpenoids	NA
+C06914	Clindamycin	HMDB0015321	29029	3745	C06914	NA	CCC[C@@H]1C[C@H](N(C1)C)C(=O)NC([C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)SC)O)O)O)C(C)Cl	null	null	null	NULL
+HMDB0011511	LysoPE(20:0/0:0)	HMDB0011511	52925131	131690		NA	CCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)O	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines	NA
+HMDB0013058	S-(9-deoxy-delta9,12-PGD2)-glutathione	HMDB0013058	53481598	NA		NA	CCCCC[C@@H](C/C=C/1\[C@@H](C(CC1=O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@H](C(=O)O)N)C/C=C\CCCC(=O)O)O	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	NA
+HMDB0030340	Piperolein B	HMDB0030340	21580213	534866		NA	C1CCN(CC1)C(=O)CCCCCC/C=C/C2=CC3=C(C=C2)OCO3	Organoheterocyclic compounds	Benzodioxoles	null	NA
+C00440	5-Methyltetrahydrofolic acid	HMDB0001396	439234	15641	C00440	6215	CN1C(CNC2=C1C(=O)N=C(N2)N)CNC3=CC=C(C=C3)C(=O)N[C@H](CCC(=O)O)C(=O)O	null	null	null	map00670 One carbon pool by folate; map00720 Carbon fixation pathways in prokaryotes; map01100 Metabolic pathways; map01120 Microbial metabolism in diverse environments; map01200 Carbon metabolism; map01523 Antifolate resistance
+C01595	Linoleic acid	HMDB0000673	5280450	17351	C01595	191	CCCCC/C=C\C/C=C\CCCCCCCC(=O)O	Lipids and lipid-like molecules	Fatty Acyls	Lineolic acids and derivatives	map00591 Linoleic acid metabolism; map01040 Biosynthesis of unsaturated fatty acids; map01060 Biosynthesis of plant secondary metabolites; map01100 Metabolic pathways
+HMDB0010343	1-(alpha-Methyl-4-(2-methylpropyl)benzeneacetate)-beta-D-Glucopyranuronic acid	HMDB0010343	163959	NA	C03033	NA	CC(C)CC1=CC=C(C=C1)C(C)C(=O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates	NA
+HMDB0002082	Bisnorcholic acid	HMDB0002082	9547705	NA		NA	C[C@@H]([C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C)C(=O)O	Lipids and lipid-like molecules	Steroids and steroid derivatives	Bile acids, alcohols and derivatives	NA
+HMDB0007850	LysoPA(0:0/18:0)	HMDB0007850	53478600	NA	C00416	NA	CCCCCCCCCCCCCCCCCC(=O)O[C@H](CO)COP(=O)(O)O	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphates	NA
+C11158	Topotecan	HMDB0015164	60700	63632	C11158	NA	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=C(C3=C2)N=C5C=CC(=C(C5=C4)CN(C)C)O)O	Alkaloids and derivatives	Camptothecins	null	map04976 Bile secretion
+C05139	16a-Hydroxydehydroisoandrosterone	HMDB0000352	102030	27771	C05139	5341	C[C@]12CC[C@@H](CC1=CC[C@@H]3[C@@H]2CC[C@]4([C@H]3C[C@H](C4=O)O)C)O	Lipids and lipid-like molecules	Steroids and steroid derivatives	Androstane steroids	map00140 Steroid hormone biosynthesis
+HMDB0013308	Stearoylglycine	HMDB0013308	95070	479320		NA	CCCCCCCCCCCCCCCCCC(=O)NCC(=O)O	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	NA
+HMDB0008856	PE(14:1(9Z)/15:0)	HMDB0008856	52924130	NA	C00350	NA	CCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCC)COP(=O)(O)OCCN	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines	NA
+C09308	Chalepin acetate	HMDB0030666	26948	NA	C09308	NA	CC(=O)OC(C)(C)C1CC2=C(O1)C=C3C(=C2)C=C(C(=O)O3)C(C)(C)C=C	null	null	null	NULL
+C01699	Gibberellin A3	HMDB0003559	9819600	682248	C01699	6954	C[C@]12[C@H](C=C[C@@]3([C@@H]1[C@@H]([C@]45[C@H]3CC[C@](C4)(C(=C)C5)O)C(=O)O)OC2=O)O	Lipids and lipid-like molecules	Prenol lipids	Diterpenoids	map00904 Diterpenoid biosynthesis; map01110 Biosynthesis of secondary metabolites
+C08022	Sufentanil	HMDB0014846	41693	9316	C08022	NA	CCC(=O)N(C1=CC=CC=C1)C2(CCN(CC2)CCC3=CC=CS3)COC	Benzenoids	Benzene and substituted derivatives	Anilides	NULL
+C07661	Gatifloxacin	HMDB0015178	5379	5280	C07661	NA	CC1CN(CCN1)C2=C(C=C3C(=C2OC)N(C=C(C3=O)C(=O)O)C4CC4)F	Organoheterocyclic compounds	Quinolines and derivatives	Quinoline carboxylic acids	NULL
+C00504	Folic acid	HMDB0000121	6037	27470	C00504	246	C1=CC(=CC=C1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCC2=CN=C3C(=N2)C(=O)N=C(N3)N	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	map00670 One carbon pool by folate; map00790 Folate biosynthesis; map01061 Biosynthesis of phenylpropanoids; map01100 Metabolic pathways; map01523 Antifolate resistance; map04976 Bile secretion; map04977 Vitamin digestion and absorption
+HMDB0003556	Chitobiose	HMDB0003556	22833609	NA	C01674	6953	CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)NC(=O)O)O	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates	NA
+HMDB0005036	Fluticasone	HMDB0005036	22833648	NA		NA	CCC(=O)O[C@@]1([C@@H](CC2[C@@]1(C[C@@H]([C@]3([C@H]2C[C@@H](C4=CC(=O)C=C[C@@]43C)F)F)O)C)C)C(=O)SCF	Lipids and lipid-like molecules	Steroids and steroid derivatives	Steroid esters	NA
+C14034	Piperacillin	HMDB0014464	43672	8232	C14034	NA	CCN1CCN(C(=O)C1=O)C(=O)N[C@H](C2=CC=CC=C2)C(=O)N[C@H]3[C@@H]4N(C3=O)[C@H](C(S4)(C)C)C(=O)O	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	NULL
+C00219	Arachidonic acid	HMDB0001043	444899	15843	C00219	193	CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	map00590 Arachidonic acid metabolism; map00591 Linoleic acid metabolism; map01040 Biosynthesis of unsaturated fatty acids; map01100 Metabolic pathways; map04216 Ferroptosis; map04217 Necroptosis; map04270 Vascular smooth muscle contraction; map04611 Platelet activation; map04664 Fc epsilon RI signaling pathway; map04666 Fc gamma R-mediated phagocytosis; map04723 Retrograde endocannabinoid signaling; map04726 Serotonergic synapse; map04730 Long-term depression; map04745 Phototransduction - fly; map04750 Inflammatory mediator regulation of TRP channels; map04912 GnRH signaling pathway; map04913 Ovarian steroidogenesis; map04921 Oxytocin signaling pathway; map04923 Regulation of lipolysis in adipocytes; map04925 Aldosterone synthesis and secretion; map05140 Leishmaniasis; map05146 Amoebiasis; map07034 Eicosanoids
+HMDB0033237	1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside	HMDB0033237	NA	NA		NA	CC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC(CO)(O1)C(O)CO	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates	NA
+C07908	Mycophenolate mofetil	HMDB0014826	5281078	8764	C07908	NA	CC1=C(C(=C(C2=C1COC2=O)O)C/C=C(\C)/CCC(=O)OCCN3CCOCC3)OC	Organoheterocyclic compounds	Isocoumarans	Isobenzofuranones	NULL