anonymous041/ChEBI-Augmented huggingface dataset:
The molecule N1([C@@H](C2=C(CC1)C=C(C(=C2)OC)OC)CC3=CC=C(C(=C3)OC)OC)C N1([C@@H](C2=C(CC1)C=C(C(=C2)OC)OC)CC3=CC=C(C(=C3)OC)OC)C is A benzylisoquinoline alkaloid that is (R)-tetrahydropapaverine in which the amino hydrogen has been replaced by a methyl group. Its functional parent is (R)-tetrahydropapaverine .    It is also related to or classified as polyether  . It is also related to or classified as benzylisoquinoline alkaloid , benzyltetrahydroisoquinoline , aromatic ether , tertiary amino compound .
The molecule O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP([O-])([O-])=O)n1cnc2c1ncn([C@@H]1O[C@H](COP([O-])([O-])=O)[C@@H](O)[C@H]1O)c2=N O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP([O-])([O-])=O)n1cnc2c1ncn([C@@H]1O[C@H](COP([O-])([O-])=O)[C@@H](O)[C@H]1O)c2=N is A nucleotide-sugar oxoanion arising from deprotonation of all four phosphate OH groups of 1-(5-phospho-beta-D-ribosyl)-5'-AMP; major species at pH 7.3. It has the role of Saccharomyces cerevisiae metabolite . It is also related to or classified as nucleotide-sugar oxoanion .
The molecule C1=CC(=CC=C1O)CCNC(CCC)=O C1=CC(=CC=C1O)CCNC(CCC)=O is N-butanoyltyramine. Its functional parent is tyramine . It is also related to or classified as tyramines .
The molecule O([C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)NC(=O)C)C2=CC=C(C[C@H](N)C(O)=O)C=C2 O([C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)NC(=O)C)C2=CC=C(C[C@H](N)C(O)=O)C=C2 is an O(4')-glycosyl-L-tyrosine in which the glycosyl group is specified as N-acetyl-alpha-D-glucosaminyl. It is also related to or classified as O(4')-glycosyl-L-tyrosine .
The molecule CCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@H](O)CCCC(=O)NCCCCCCC1=CC=CC=C1 CCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@H](O)CCCC(=O)NCCCCCCC1=CC=CC=C1 is A synthetic alpha-galactosylsphingamide in which the galactose ring carries a (2S,3S,4R)-3,4-dihydroxy-2-(hexadecanoylamino)-8-oxo-8-[(6-phenylhexyl)amino]octyl moiety at O-1. It has the role of epitope . It is also related to or classified as alpha-galactosylsphingamide .
The molecule Cc1c(Cl)c(=O)oc2cc(O)ccc12 Cc1c(Cl)c(=O)oc2cc(O)ccc12 is chlorferron. Its functional parent is 4-methylumbelliferone . It is also related to or classified as organochlorine compound  .
The molecule C([C@](N)(C)CO)(O)=O C([C@](N)(C)CO)(O)=O is the L-enantiomer of 2-methylserine. It is also related to or classified as 2-methylserine  . It is also related to or classified as non-proteinogenic L-alpha-amino acid .
The molecule P(O[C@H]1[C@@H](O)[C@@H](O[C@@H]1CO)N2C=3NC(=NC(=O)C3N=C2)N)(OC[C@H]4O[C@@H](N5C=CC(=NC5=O)N)[C@H](O)[C@@H]4O)(O)=O P(O[C@H]1[C@@H](O)[C@@H](O[C@@H]1CO)N2C=3NC(=NC(=O)C3N=C2)N)(OC[C@H]4O[C@@H](N5C=CC(=NC5=O)N)[C@H](O)[C@@H]4O)(O)=O is A (3'->5')-dinucleotide composed from guanosine and cytidine units. It is a conjugate acid of guanylyl-(3'->5')-cytidine(1-) . It is also related to or classified as (3'->5')-dinucleotide , guanyl ribonucleotide .
The molecule [H][C@@]1(CC[C@@]2([H])C3=CC[C@@]4([H])C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CC\C(=C\C)C(C)C [H][C@@]1(CC[C@@]2([H])C3=CC[C@@]4([H])C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CC\C(=C\C)C(C)C is A stigmastane sterol that is 5alpha-stigmastane carrying a hydroxy group at position 3beta and double bonds at positions 7 and 24. It has the role of plant metabolite .  It is also related to or classified as Delta(7)-sterol  .  It is also related to or classified as 3beta-hydroxy steroid  . It is also related to or classified as stigmastane sterol , phytosterols .
The molecule OC[C@@H](O)C(O)=O OC[C@@H](O)C(O)=O is the D-enantiomer of glyceric acid. It is a conjugate acid of D-glycerate . It is also related to or classified as glyceric acid  .
The molecule COC(=O)N(C(=O)N1CO[C@]2(Cc3cc(Cl)ccc3C2=N1)C(=O)OC)c1ccc(OC(F)(F)F)cc1 COC(=O)N(C(=O)N1CO[C@]2(Cc3cc(Cl)ccc3C2=N1)C(=O)OC)c1ccc(OC(F)(F)F)cc1 is indoxacarb. It has the role of voltage-gated sodium channel blocker . It is also related to or classified as methyl ester  . It is also related to or classified as organochlorine insecticide .
The molecule O=C(NCCO)[C@H](C(=O)/C(=C/CCCC)/C)C O=C(NCCO)[C@H](C(=O)/C(=C/CCCC)/C)C is Asenjonamide A. It is also related to or classified as enone  . It is also related to or classified as beta-hydroxy ketone .
The molecule [N+]1(C(C2=C(CC1)C=C(C(=C2)O)OC)CC3=CC=C(C(=C3)O)OC)(C)C [N+]1(C(C2=C(CC1)C=C(C(=C2)O)OC)CC3=CC=C(C(=C3)O)OC)(C)C is A quaternary ammonium ion obtained by methylation of the tertiary amino function of reticuline. Its functional parent is reticuline . It is also related to or classified as quaternary ammonium ion  .
The molecule CCC(C)CC(O)=O CCC(C)CC(O)=O is A methyl-branched fatty acid that is pentanoic acid which carries a methyl group at position 3. It has the role of flavouring agent . It has the role of animal metabolite . It has the role of plant metabolite . It has the role of fungal metabolite . It is a conjugate acid of 3-methylvalerate . It is also related to or classified as short-chain fatty acid  . It is also related to or classified as branched-chain saturated fatty acid , methyl-branched fatty acid , monocarboxylic acid .
The molecule CC1=N[C@H](SC\1=C/COP([O-])([O-])=O)C([O-])=O CC1=N[C@H](SC\1=C/COP([O-])([O-])=O)C([O-])=O is the organophosphate oxoanion that is the 2R,5Z isomer of 2-carboxylato-4-methyl-5-[(2-phosphonatooxy)ethylidene]-2,5-dihydrothiazole(3-); protonated to pH 7.3. It is also related to or classified as 2-carboxylato-4-methyl-5-[(2-phosphonatooxy)ethylidene]-2,5-dihydrothiazole(3-)  . It is also related to or classified as organophosphate oxoanion .
The molecule Oc1ccc(cc1)C#N Oc1ccc(cc1)C#N is 4-cyanophenol. It has the role of EC 1.4.3.4 (monoamine oxidase) inhibitor . Its functional parent is benzonitrile . It is also related to or classified as phenols  .
The molecule CC1=NC(SC1=CCOP(O)(O)=O)C(O)=O CC1=NC(SC1=CCOP(O)(O)=O)C(O)=O is A 2,5-dihydro-1,3-thiazole having 2-carboxy-, 4-methyl- and 5-[(2-phosphonooxy)ethylidene]-substituents. Its functional parent is 4-methyl-5-(2-phosphonooxyethyl)thiazole . It is a conjugate acid of 2-carboxylato-4-methyl-5-[(2-phosphonatooxy)ethylidene]-2,5-dihydrothiazole(3-) .   It is also related to or classified as phosphate monoester  . It is also related to or classified as monocarboxylic acid , 1,3-thiazoles , olefinic compound .
The molecule [H][C@@]12CC[C@@]3(CC)CCCN4CC[C@]1(c1ccccc1N2)[C@@]34[H] [H][C@@]12CC[C@@]3(CC)CCCN4CC[C@]1(c1ccccc1N2)[C@@]34[H] is aspidospermidine. It is also related to or classified as Aspidosperma alkaloid , indole alkaloid fundamental parent .
The molecule C(CCCCCCCCCC(=O)[H])CCCCC([O-])=O C(CCCCCCCCCC(=O)[H])CCCCC([O-])=O is an omega-oxo fatty acid anion that is the conjugate base of 16-oxohexadecanoic acid, arising from the deprotonation of the carboxy group; major species at pH 7.3. It is also related to or classified as long-chain fatty acid anion  .  It is also related to or classified as omega-oxo fatty acid anion  . It is also related to or classified as aldehydic acid anion .
The molecule CCCCCCCCCCC[C@@H](O)CC(=O)N[C@H]1[C@H](OC[C@H]2O[C@H](OP([O-])([O-])=O)[C@H](NC(=O)C[C@H](O)CCCCCCCCCCC)[C@@H](OC(=O)C[C@H](O)CCCCCCCCCCC)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1OC(=O)C[C@H](O)CCCCCCCCCCC CCCCCCCCCCC[C@@H](O)CC(=O)N[C@H]1[C@H](OC[C@H]2O[C@H](OP([O-])([O-])=O)[C@H](NC(=O)C[C@H](O)CCCCCCCCCCC)[C@@H](OC(=O)C[C@H](O)CCCCCCCCCCC)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1OC(=O)C[C@H](O)CCCCCCCCCCC is dianion of 2,3,2',3'-tetrakis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl-1,6-beta-D-glucosamine 1-phosphate. It is also related to or classified as 2,3,2',3'-tetrakis[(3R)-3-hydroxyacyl]-alpha-D-glucosaminyl-1,6-beta-D-glucosamine 1-phosphate(2-)  . It is also related to or classified as organophosphate oxoanion .
The molecule [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C(=O)C=C2C[C@@H](O)CC[C@]12C [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C(=O)C=C2C[C@@H](O)CC[C@]12C is A 3beta-hydroxy-Delta(5)-steroid that is  dehydroepiandrosterone carrying an additional oxo group at position 7. It has the role of nutraceutical . It has the role of prohormone . It has the role of human blood serum metabolite . Its functional parent is dehydroepiandrosterone . It is also related to or classified as 3beta-hydroxy-Delta(5)-steroid  . It is also related to or classified as 17-oxo steroid  . It is also related to or classified as 7-oxo steroid  . It is also related to or classified as androstanoid .
The molecule CC[C@H]1C[C@@H](C)C(=O)\C=C\C(\C)=C\[C@H](C)[C@@H](CC)OC(=O)C[C@@H](O)[C@H](C)[C@H]1O CC[C@H]1C[C@@H](C)C(=O)\C=C\C(\C)=C\[C@H](C)[C@@H](CC)OC(=O)C[C@@H](O)[C@H](C)[C@H]1O is A 16-membererd macrolide that is the aglycone of the antibiotic 5-O-beta-D-mycaminosyltylactone. It has the role of metabolite . It is also related to or classified as diol  . It is also related to or classified as macrolide  . It is also related to or classified as enone  .
The molecule CCC(C)CC([O-])=O CCC(C)CC([O-])=O is A monocarboxylic acid anion that is the conjugate base of 3-methylvaleric acid, resulting from the deprotonation of the carboxy group. Major species at pH 7.3. It is also related to or classified as short-chain fatty acid anion  .   It is also related to or classified as monocarboxylic acid anion  . It is also related to or classified as branched-chain saturated fatty acid anion , methyl-branched fatty acid anion .
The molecule C=1(C(CC[C@@H](C1C)O)(C)C)/C=C/C(=C/C=C/C(=C/C(O)=O)/C)/C C=1(C(CC[C@@H](C1C)O)(C)C)/C=C/C(=C/C=C/C(=C/C(O)=O)/C)/C is an all-trans-4-hydroxyretinoic acid in which the 4-hydroxy group has S-configuration. It has the role of human xenobiotic metabolite . It is a conjugate acid of (S)-all-trans-4-hydroxyretinoate . It is also related to or classified as all-trans-4-hydroxyretinoic acid  .
The molecule CC[C@@H](C)C(O)=O CC[C@@H](C)C(O)=O is the (R)-enantiomer of 2-methylbutanoic acid. It is also related to or classified as 2-methylbutyric acid  .
The molecule CCOP(=S)(OCC)SCSP(=S)(OCC)OCC CCOP(=S)(OCC)SCSP(=S)(OCC)OCC is an organic thiophosphate that is S,S'-methanediyl bis[dihydrogen (phosphorodithioate)] in which all the hydroxy groups have been converted to their corresponding ethyl esters respectively. Ethion is an organophosphate insecticide with inhibitory activity towards the enzyme acetylcholinesterase ( EC 3.1.1.7). It has the role of acaricide . It has the role of insecticide . It has the role of agrochemical . It has the role of EC 3.1.1.7 (acetylcholinesterase) inhibitor . It has the role of environmental contaminant . It is also related to or classified as organic thiophosphate .
The molecule CC(\C=C\C1=C(C)C(O)CCC1(C)C)=C/C=C/C(C)=C/C(O)=O CC(\C=C\C1=C(C)C(O)CCC1(C)C)=C/C=C/C(C)=C/C(O)=O is A retinoid that consists of all-trans-retinoic acid bearing a hydroxy substituent at position 4 on the cyclohexenyl ring. It has the role of human metabolite . Its functional parent is all-trans-retinoic acid . It is a conjugate acid of all-trans-4-hydroxyretinoate . It is also related to or classified as secondary allylic alcohol  . It is also related to or classified as retinoid  .
The molecule P(OC[C@@H](OC\C=C(\CC/C=C(\C)/CC\C=C(\CCC=C(C)C)/C)/C)COC\C=C(\CC/C=C(\C)/CC\C=C(\CCC=C(C)C)/C)/C)(=O)(OCCN)O P(OC[C@@H](OC\C=C(\CC/C=C(\C)/CC\C=C(\CCC=C(C)C)/C)/C)COC\C=C(\CC/C=C(\C)/CC\C=C(\CCC=C(C)C)/C)/C)(=O)(OCCN)O is A dialkylglycerophosphoethanolamine in which both alkyl groups are specified as geranylgeranyl. It has the role of Escherichia coli metabolite . It is also related to or classified as isoprenoid  . It is also related to or classified as dialkylglycerophosphoethanolamine , olefinic phospholipid .
The molecule CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@H](O)CCCC(=O)NCCCCCCC1=CC=CC=C1 CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@H](O)CCCC(=O)NCCCCCCC1=CC=CC=C1 is A synthetic alpha-galactosylsphingamide in which the galactose ring carries a (2S,3S,4R)-3,4-dihydroxy-2-(hexacosanoylamino)-8-oxo-8-[(6-phenylhexyl)amino]octyl moiety at O-1. It has the role of epitope . It is also related to or classified as alpha-galactosylsphingamide .
The molecule COP(=O)(OC)O\C(C)=C\C(=O)N(C)C COP(=O)(OC)O\C(C)=C\C(=O)N(C)C is dicrotophos. It has the role of acaricide . It has the role of agrochemical . It has the role of avicide . It has the role of EC 3.1.1.7 (acetylcholinesterase) inhibitor . It is also related to or classified as dialkyl phosphate , organophosphate insecticide .
The molecule [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)\C=C\[C@@H](CC)C(C)C [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)\C=C\[C@@H](CC)C(C)C is A 3beta-sterol that consists of 3beta-hydroxystigmastane having double bonds at the 5,6- and 22,23-positions. It has the role of plant metabolite .  It is also related to or classified as 3beta-hydroxy-Delta(5)-steroid  .  It is also related to or classified as 3beta-sterol  . It is also related to or classified as stigmastane sterol , phytosterols .
The molecule [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@@H](O)C[C@@]2([H])C[C@@H](O)CC[C@]12C [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@@H](O)C[C@@]2([H])C[C@@H](O)CC[C@]12C is A 3beta-hydroxy steroid that is epiandrosterone carrying a hydroxy group at the 7beta position. It is an endogenous androgen metabolite that has been shown to exert neuroprotective effects. It has the role of androgen . It has the role of estrogen receptor antagonist . It has the role of neuroprotective agent . It has the role of human metabolite . Its functional parent is epiandrosterone . It is also related to or classified as 17-oxo steroid  . It is also related to or classified as 7beta-hydroxy steroid  . It is also related to or classified as 3beta-hydroxy steroid  . It is also related to or classified as androstanoid .
The molecule CCOP(=S)(OCC)SCCSCC CCOP(=S)(OCC)SCCSCC is an organic thiophosphate that is the diethyl ester of S-[2-(ethylsulfanyl)ethyl] dihydrogen phosphorodithioate. It has the role of acaricide . It has the role of agrochemical . It has the role of EC 3.1.1.7 (acetylcholinesterase) inhibitor . It is also related to or classified as organothiophosphate insecticide , organic thiophosphate .
The molecule CCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@H](O)CCCC(=O)NCCCCCCC1=CC=CC=C1 CCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@H](O)CCCC(=O)NCCCCCCC1=CC=CC=C1 is A synthetic alpha-galactosylsphingamide in which the galactose ring carries a (2S,3S,4R)-3,4-dihydroxy-2-(icosanoylamino)-8-oxo-8-[(6-phenylhexyl)amino]octyl moiety at O-1. It has the role of epitope . It is also related to or classified as alpha-galactosylsphingamide .
The molecule [NH3+]C(CC([O-])=O)C([O-])=O [NH3+]C(CC([O-])=O)C([O-])=O is an alpha-amino-acid anion that is the conjugate base of aspartic acid. It has the role of fundamental metabolite . It is a conjugate acid of aspartate(2-) . It is also related to or classified as aspartate .
The molecule CCCCCCCC(=O)N[C@@H](CO[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@H](O)CCCC(=O)NCCCCC1=CCCC=C1 CCCCCCCC(=O)N[C@@H](CO[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@H](O)CCCC(=O)NCCCCC1=CCCC=C1 is A synthetic alpha-galactosylsphingamide in which the galactose ring carries a (2S,3S,4R)-3,4-dihydroxy-2-(octanoylamino)-8-oxo-8-[(6-phenylbutyl)amino]octyl moiety at O-1. It has the role of epitope . It is also related to or classified as alpha-galactosylsphingamide .
The molecule [H]C(=O)Nc1c(ncn1[C@@H]1O[C@H](COP([O-])([O-])=O)[C@@H](O)[C@H]1O)C(N)=O [H]C(=O)Nc1c(ncn1[C@@H]1O[C@H](COP([O-])([O-])=O)[C@@H](O)[C@H]1O)C(N)=O is dianion of 5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide. It has the role of Saccharomyces cerevisiae metabolite . It has the role of human metabolite . It is also related to or classified as organophosphate oxoanion .
The molecule O(C(C)(C)C)C(=O)N[C@@](C)(C(O)=O)C#N O(C(C)(C)C)C(=O)N[C@@](C)(C(O)=O)C#N is Boc-alpha-cyano-L-alanine. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule CCc1nn(C)c(C(=O)NCc2ccc(Oc3ccc(C)cc3)cc2)c1Cl CCc1nn(C)c(C(=O)NCc2ccc(Oc3ccc(C)cc3)cc2)c1Cl is an aromatic amide obtained by formal condensation of the carboxy group of 4-chloro-3-ethyl-1-methylpyrazole-5-carboxylic acid with the amino group of 1-[4-(4-methylphenoxy)phenyl]methylamine. It has the role of agrochemical . It has the role of antifungal agent . It has the role of mitochondrial NADH:ubiquinone reductase inhibitor . It has the role of EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor .   It is also related to or classified as organochlorine compound  . It is also related to or classified as pyrazole insecticide , aromatic ether , aromatic amide .
The molecule [C@]123[C@]4([C@@]([C@@H]5[C@H](C(C)=C)[C@H]([C@]4(OC1=O)[H])OC5=O)(O)C[C@]2(O3)[H])C [C@]123[C@]4([C@@]([C@@H]5[C@H](C(C)=C)[C@H]([C@]4(OC1=O)[H])OC5=O)(O)C[C@]2(O3)[H])C is A picrotoxane sesquiterpenoid that is 3a,4,5,6,7,7a-hexahydro-1H-indene-3,7-dicarboxylic acid which is substituted at positions 3a, 6, and 7a by methyl, isopropenyl, and hydroxy groups, respectively; in which the double bond at position 2-3 has been epoxidised; and in which the carboxy groups at positions 3 and 7 have undergone gamma-lactone formation by O-alkylation to positions 4 and 5, respectively. A component of picrotoxin. It has the role of serotonergic antagonist . It has the role of GABA antagonist . It has the role of plant metabolite .  It is also related to or classified as tertiary alcohol  . It is also related to or classified as epoxide  . It is also related to or classified as gamma-lactone  . It is also related to or classified as picrotoxane sesquiterpenoid , organic heteropentacyclic compound .
The molecule OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](O)[C@H](O)[C@@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](O)[C@H](O)[C@@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O is A galactotriose that is beta-D-galactopyranose in which the hydroxy groups at positions 3 and 6 have been converted to the corresponding beta-D-galactopyranosyl derivatives. It is also related to or classified as galactotriose .
The molecule [C@]123[C@]4([C@@]([C@@H]5[C@H](C(O)(C)C)[C@H]([C@]4(OC1=O)[H])OC5=O)(O)C[C@]2(O3)[H])C [C@]123[C@]4([C@@]([C@@H]5[C@H](C(O)(C)C)[C@H]([C@]4(OC1=O)[H])OC5=O)(O)C[C@]2(O3)[H])C is an organic heteropentacyclic compound that is picrotoxinin in which the olefinic double bond has undergone addition of water to give the corresponding tertiary alcohol. It is the less toxic component of picrotoxin, lacking GABA activity. It has the role of plant metabolite . Its functional parent is picrotoxinin .  It is also related to or classified as diol  . It is also related to or classified as tertiary alcohol  . It is also related to or classified as epoxide  . It is also related to or classified as gamma-lactone  . It is also related to or classified as picrotoxane sesquiterpenoid , organic heteropentacyclic compound .
The molecule CCSCCS CCSCCS is 2-(ethylsulfanyl)ethanethiol.  It is also related to or classified as alkanethiol  . It is also related to or classified as aliphatic sulfide .
The molecule NC(=O)C1=CN([C@H](O)CC1)[C@@H]1O[C@H](COP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O NC(=O)C1=CN([C@H](O)CC1)[C@@H]1O[C@H](COP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O is A doubly-charged nucleotide-sugar oxoanion obtained by deprotonation of the diphosphate OH groups of (R)-NADHX; major species at pH 7.3. Its functional parent is NADH(2-) . It is also related to or classified as nucleotide-sugar oxoanion .
The molecule C(\CCCCCCCC(=O)N[C@H](C(O)=O)CCC(=O)O)=C\CCCCCCCC C(\CCCCCCCC(=O)N[C@H](C(O)=O)CCC(=O)O)=C\CCCCCCCC is A fatty amide resulting from the formal condensation of the carboxy group of oleic acid with the amino group of L-glutamic acid. Its functional parent is oleic acid . It is a conjugate acid of N-oleoyl-L-glutamate(2-) . It is also related to or classified as N-(fatty acyl)-L-alpha-amino acid  . It is also related to or classified as N-acyl-L-glutamic acid .
The molecule O1C([C@H](O)[C@H](O)C(O)[C@@H]1OC=2C=C3OC(CC(=O)C3=C(O)C2)C4=CC=C(O)C=C4)C O1C([C@H](O)[C@H](O)C(O)[C@@H]1OC=2C=C3OC(CC(=O)C3=C(O)C2)C4=CC=C(O)C=C4)C is Naringerin. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule Nc1ncccn1 Nc1ncccn1 is an  aminopyrimidine carrying an amino group at position 2. It is also related to or classified as aminopyrimidine .
The molecule CC(C)(C)c1ccc(CSc2cnn(c(=O)c2Cl)C(C)(C)C)cc1 CC(C)(C)c1ccc(CSc2cnn(c(=O)c2Cl)C(C)(C)C)cc1 is pyridaben. It has the role of mitochondrial NADH:ubiquinone reductase inhibitor . It is also related to or classified as organochlorine insecticide , pyridazinone , organochlorine acaricide .
The molecule C(\CCCCCCCC(=O)N[C@H](C(O)=O)[C@H](CC)C)=C\CCCCCCCC C(\CCCCCCCC(=O)N[C@H](C(O)=O)[C@H](CC)C)=C\CCCCCCCC is an L-isoleucine derivative resulting from the formal condensation of the carboxy group of oleic acid with the amino group of L-isoleucine. Its functional parent is oleic acid . It is a conjugate acid of N-oleoyl-L-isoleucinate . It is also related to or classified as N-(fatty acyl)-L-alpha-amino acid  . It is also related to or classified as L-isoleucine derivative .
The molecule COC1=CC2=C(NC=C2CCN)C=C1 COC1=CC2=C(NC=C2CCN)C=C1 is A member of the class of tryptamines that is the methyl ether derivative of serotonin. It has the role of 5-hydroxytryptamine 2B receptor agonist . It has the role of 5-hydroxytryptamine 2C receptor agonist . It has the role of 5-hydroxytryptamine 2A receptor agonist . It has the role of antioxidant . It has the role of serotonergic agonist . It has the role of neuroprotective agent . It has the role of radiation protective agent . It has the role of mouse metabolite . It has the role of cardioprotective agent . It has the role of human metabolite . Its functional parent is serotonin . It is also related to or classified as tryptamines , aromatic ether , primary amino compound .
The molecule CC(C)=CCC\C(C)=C\CC\C(C)=C\[C@H]1[C@H](COP([O-])([O-])=O)[C@@]1(C)CC\C=C(/C)CCC=C(C)C CC(C)=CCC\C(C)=C\CC\C(C)=C\[C@H]1[C@H](COP([O-])([O-])=O)[C@@]1(C)CC\C=C(/C)CCC=C(C)C is A double charged organophosphate oxoanion obtained by deprotonation of the phosphate OH groups of presqualene monophosphate. Major species at pH 7.3. Its functional parent is presqualene alcohol . It is also related to or classified as organophosphate oxoanion .
The molecule CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@H](O)CCCC(=O)NC1=CC=C(CCCCC)C=C1 CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@H](O)CCCC(=O)NC1=CC=C(CCCCC)C=C1 is A synthetic alpha-galactosylsphingamide in which the galactose ring carries a (2S,3S,4R)-3,4-dihydroxy-2-(hexacosanoylamino)-8-oxo-8-[(4-pentylphenyl)amino]octyl moiety at O-1. It has the role of epitope . It is also related to or classified as alpha-galactosylsphingamide .
The molecule C1[C@H](C[C@@]2([C@](C1)([C@@]3([C@@]([C@@H]([C@H]2O)O)([C@@]4([H])[C@@](CC3)(C)[C@](CC4)([C@@H](CCC(O)=O)C)[H])[H])[H])C)[H])O C1[C@H](C[C@@]2([C@](C1)([C@@]3([C@@]([C@@H]([C@H]2O)O)([C@@]4([H])[C@@](CC3)(C)[C@](CC4)([C@@H](CCC(O)=O)C)[H])[H])[H])C)[H])O is A member of the class of muricholic acids in which the hydroxy groups at positions 6 and 7 have beta- and alpha- configuration respectively. It is a conjugate acid of alpha-muricholate . It is also related to or classified as muricholic acids  . It is also related to or classified as 7alpha-hydroxy steroid  . It is also related to or classified as 6beta-hydroxy steroid .
The molecule COc1ccc(cc1NNC(=O)OC(C)C)-c1ccccc1 COc1ccc(cc1NNC(=O)OC(C)C)-c1ccccc1 is A carboxylic ester obtained by formal condensation of 2-(4-methoxy[1,1'-biphenyl]-3-yl)hydrazinecarboxylic acid with 2-propanol. It has the role of acaricide . Its functional parent is carbazic acid . It is also related to or classified as carboxylic ester  .