anonymous041/ChEBI-Augmented huggingface dataset:
The molecule CCCSP(=S)(OCC)Oc1ccc(Cl)cc1Cl CCCSP(=S)(OCC)Oc1ccc(Cl)cc1Cl is an organic thiophosphate that is the 2,4-dichlorophenyl ester of O-ethyl S-propyl dithiophosphoric acid. It has the role of insecticide . It has the role of agrochemical . It has the role of EC 3.1.1.8 (cholinesterase) inhibitor . It has the role of EC 3.1.1.7 (acetylcholinesterase) inhibitor . Its functional parent is 2,4-dichlorophenol . It is also related to or classified as dichlorobenzene  . It is also related to or classified as organosulfur compound , organic thiophosphate .
The molecule O(C(C1=CC=CC=C1)C)C(=O)CC O(C(C1=CC=CC=C1)C)C(=O)CC is 1-Phenylethyl propanoate. Its functional parent is benzyl alcohol . It is also related to or classified as carboxylic ester  .
The molecule C1=C(C=[N+](C=C1C(=O)S)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)C(=O)O is a pyridine nucleotide having 3-carboxy-5-(sulfanylcarbonyl)pyridine as the nucleobase. It is a pyridine nucleotide, a nucleoside 5'-monophosphate and a monothiocarboxylic acid. It derives from a nicotinic acid D-ribonucleotide. It is a conjugate acid of a pyridinium-3-carboxylate-5-thiocarboxylate mononucleotide(3-).
The molecule O[C@@H]1C[C@](C[C@@H](OC(=O)\C=C\c2ccc(O)c(O)c2)[C@H]1O)(OC(=O)\C=C\c1ccc(O)c(O)c1)C(O)=O O[C@@H]1C[C@](C[C@@H](OC(=O)\C=C\c2ccc(O)c(O)c2)[C@H]1O)(OC(=O)\C=C\c1ccc(O)c(O)c1)C(O)=O is an alkyl caffeate ester obtained by the formal condensation of hydroxy groups at positions 1 and 3 of ()-quinic acid with two molecules of trans-caffeic acid. It has the role of plant metabolite . Its functional parent is trans-caffeic acid . Its functional parent is (-)-quinic acid . It is a conjugate acid of 1,3-dicaffeoylquinate .  It is also related to or classified as alkyl caffeate ester  . It is also related to or classified as quinic acid .
The molecule C1[C@@]2([C@]3(C[C@@H]([C@]4([C@]([C@@]3([C@@H](C[C@@]2(C[C@@H](C1)O)[H])OS([O-])(=O)=O)[H])(CC[C@]4([H])[C@@H](CCC([O-])=O)C)[H])C)O)[H])C C1[C@@]2([C@]3(C[C@@H]([C@]4([C@]([C@@]3([C@@H](C[C@@]2(C[C@@H](C1)O)[H])OS([O-])(=O)=O)[H])(CC[C@]4([H])[C@@H](CCC([O-])=O)C)[H])C)O)[H])C is A steroid sulfate oxoanion obtained by deprotonation of the carboxylic acid and sulfate functions of cholic acid 7-sulfate; major species at pH 7.3. It is also related to or classified as steroid sulfate oxoanion .
The molecule C1[C@@]2([C@]3(CC([C@]4([C@]([C@@]3([C@H](C[C@@]2(CC(C1)=O)[H])O)[H])(CC[C@]4([H])[C@@H](CCC(O)=O)C)[H])C)=O)[H])C C1[C@@]2([C@]3(CC([C@]4([C@]([C@@]3([C@H](C[C@@]2(CC(C1)=O)[H])O)[H])(CC[C@]4([H])[C@@H](CCC(O)=O)C)[H])C)=O)[H])C is an oxo-5beta-cholanic acid in which two oxo substituents are located at positions 3 and 12 together with a hydroxy substituent at position 7beta. It is a conjugate acid of 7beta-hydroxy-3,12-dioxo-5beta-cholanate . It is also related to or classified as 3-oxo-5beta-steroid  .  It is also related to or classified as 7beta-hydroxy steroid  . It is also related to or classified as oxo-5beta-cholanic acid , 12-oxo steroid .
The molecule CNC(=N)NCCC[C@H](N)C([O-])=O CNC(=N)NCCC[C@H](N)C([O-])=O is A L-alpha-amino acid anion obtained by deprotonation of the carboxy group of N(omega)-methyl-L-arginine. It is also related to or classified as L-alpha-amino acid anion  .
The molecule [C@@H]1(N2C3=C(C(=NC=N3)N)N=C2)O[C@H](COP(OP(OCC(C)([C@H](C(NCCC(NCCSC(CCC(OP([O-])([O-])=O)CCCCCC)=O)=O)=O)O)C)(=O)[O-])(=O)[O-])[C@H]([C@H]1O)OP([O-])([O-])=O [C@@H]1(N2C3=C(C(=NC=N3)N)N=C2)O[C@H](COP(OP(OCC(C)([C@H](C(NCCC(NCCSC(CCC(OP([O-])([O-])=O)CCCCCC)=O)=O)=O)O)C)(=O)[O-])(=O)[O-])[C@H]([C@H]1O)OP([O-])([O-])=O is major microspecies at pH 7.3. It is also related to or classified as medium-chain fatty acyl-CoA(4-)  .
The molecule [C@H]1(OP(=O)(O)O)[C@H](OC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC)[C@@H](NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)[C@@H](O[C@@H]1CO)OC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)OP(=O)(O)O)NC(=O)C[C@@H](CCCCCCCCCCC)O)OC(=O)C[C@@H](CCCCCCCCCCC)O)O [C@H]1(OP(=O)(O)O)[C@H](OC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC)[C@@H](NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)[C@@H](O[C@@H]1CO)OC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)OP(=O)(O)O)NC(=O)C[C@@H](CCCCCCCCCCC)O)OC(=O)C[C@@H](CCCCCCCCCCC)O)O is the glycolipid moiety of the lipopolysaccharide produced by E. coli. It has the role of Escherichia coli metabolite . It is a conjugate acid of lipid A(4-) (E. coli) . It is also related to or classified as lipid A  . It is also related to or classified as dodecanoate ester  . It is also related to or classified as tetradecanoate ester  .
The molecule CC(C)[C@@H](C(=O)N[C@@H](CC(=O)OC)C(=O)CF)NC(=O)[C@H](CCC(=O)OC)NC(=O)[C@H](CC(=O)OC)NC(=O)OCC1=CC=CC=C1 is a tetrapeptide consisting of Fmoc-L-aspartic acid 4-methyl ester, methyl L-alpha-glutamic acid 5-methyl ester, L-valine and the fluoromethyl ketone derived from the 1-carboxy group of L-aspartic acid 4-methyl ester coupled in sequence. It is a specific, irreversible caspase-3 inhibitor that also shows potent inhibition of caspase-6, caspase-7, caspase-8, and caspase-10. It has a role as an apoptosis inhibitor, an EC 3.4.22.56 (caspase-3) inhibitor and a neuroprotective agent.
The molecule C(C/C=C/COC(C)=O)C C(C/C=C/COC(C)=O)C is an acetate ester resulting from the formal condensation of the hydroxy group of (E)-hex-2-en-1-ol with the carboxy group of acetic acid. It has the role of flavouring agent . It has the role of plant metabolite . Its functional parent is (E)-hex-2-en-1-ol . It is also related to or classified as acetate ester  . It is also related to or classified as olefinic compound .
The molecule FC(F)(F)C(F)(F)C(F)(F)N(C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F FC(F)(F)C(F)(F)C(F)(F)N(C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F is perfluorotripropylamine. It has the role of blood substitute . Its functional parent is tripropylamine . It is also related to or classified as organofluorine compound  .
The molecule Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1OP([O-])([O-])=O Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1OP([O-])([O-])=O is an organophosphate oxoanion obtained by removal of two protons from the phosphate group of adenosine 2'-phosphate; major species at pH 7.3. It is also related to or classified as ribonucleoside 2'-monophosphate(2-)  . It is also related to or classified as organophosphate oxoanion .
The molecule CCCCN(CCCC)C(=S)[S-].CCCCN(CCCC)C(=S)[S-].[Zn+2] is a dithiocarbamate salt that is the zinc salt of dibutyldithiocarbamic acid. It has a role as an antifungal agrochemical. It is a dithiocarbamate salt and a zinc molecular entity. It contains a dibutyldithiocarbamate and a zinc(2+). It derives from a dibutyldithiocarbamic acid.
The molecule [H][C@@]12CC(=O)CC[C@]1(C)[C@@]1([H])CC(=O)[C@]3(C)[C@]([H])(CC[C@@]3([H])[C@]1([H])C(=O)C2)[C@H](C)CCC(O)=O [H][C@@]12CC(=O)CC[C@]1(C)[C@@]1([H])CC(=O)[C@]3(C)[C@]([H])(CC[C@@]3([H])[C@]1([H])C(=O)C2)[C@H](C)CCC(O)=O is an oxo-5beta-cholanic acid in which three oxo substituents are located at positions 3, 7 and 12 on the cholanic acid skeleton. It has the role of gastrointestinal drug . It is a conjugate acid of 3,7,12-trioxo-5beta-cholan-24-oate . It is also related to or classified as 3-oxo-5beta-steroid  .  It is also related to or classified as 7-oxo steroid  . It is also related to or classified as oxo-5beta-cholanic acid , 12-oxo steroid .
The molecule OC(C(CO)(C)C)C(=O)NCCC(=O)N OC(C(CO)(C)C)C(=O)NCCC(=O)N is Pantothenamide. Its functional parent is beta-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule O1C(OCC1C)(CC(OCC)=O)C O1C(OCC1C)(CC(OCC)=O)C is cis- and trans-Ethyl 2,4-dimethyl-1,3-dioxolane-2-acetate. It is also related to or classified as fatty acid ester  .
The molecule C=1C(=CC(=C(C1O)O)O)CC2CCC(O2)=O C=1C(=CC(=C(C1O)O)O)CC2CCC(O2)=O is A butan-4-olide that is gamma-valerolactone in which one of the methyl hydrogens has been replaced by a 3,4,5-trihydroxyphenyl group. It has the role of human urinary metabolite . Its functional parent is gamma-valerolactone . It is also related to or classified as benzenetriol , butan-4-olide .
The molecule O(C(=O)C(NC(OCC#C)=O)C)CC#C O(C(=O)C(NC(OCC#C)=O)C)CC#C is D-Alanine, N-propargyloxycarbonyl-, propargyl ester. It is also related to or classified as alpha-amino acid ester  .
The molecule C(=O)(C(C(C(F)(F)F)(F)F)(F)F)OC(=O)C(C(C(F)(F)F)(F)F)(F)F is an acyclic carboxylic anhydride that is perfluorinated butyric anhydride. It is used as a derivatising reagent for gas chromatographic analyses. It has a role as a chromatographic reagent. It is an organofluorine compound and an acyclic carboxylic anhydride. It derives from a butyric acid.
The molecule CCC1=C(C)C2=[N+]3C1=Cc1c(C)c4C(=O)[C@H](C(=O)OC)C5=C6C(CCC([O-])=O)=C(C)C7=[N+]6[Mg--]3(n1c45)n1c(=C7)c(C)c(C=C)c1=C2 CCC1=C(C)C2=[N+]3C1=Cc1c(C)c4C(=O)[C@H](C(=O)OC)C5=C6C(CCC([O-])=O)=C(C)C7=[N+]6[Mg--]3(n1c45)n1c(=C7)c(C)c(C=C)c1=C2 is A cyclic tetrapyrrole anion that is the conjugate base of protochlorophyllide, arising from deprotonation of the carboxy group. It is a conjugate acid of protochlorophyllide(2-) . It is also related to or classified as monocarboxylic acid anion  . It is also related to or classified as cyclic tetrapyrrole anion .
The molecule C1[C@@]2([C@]3(C[C@@H]([C@]4([C@]([C@@]3([C@H](C[C@@]2(C[C@@H](C1)O)[H])O)[H])(CC[C@@]4([C@@H](CCC(O)=O)C)[H])[H])C)O)[H])C C1[C@@]2([C@]3(C[C@@H]([C@]4([C@]([C@@]3([C@H](C[C@@]2(C[C@@H](C1)O)[H])O)[H])(CC[C@@]4([C@@H](CCC(O)=O)C)[H])[H])C)O)[H])C is A bile acid that is 5beta-cholan-24-oic acid bearing three hydroxy substituents at positions 3alpha, 7beta and 12alpha. It has the role of EC 1.1.1.159 (7alpha-hydroxysteroid dehydrogenase) inhibitor . It has the role of human urinary metabolite . It is a conjugate acid of ursocholate .    It is also related to or classified as 7beta-hydroxy steroid  . It is also related to or classified as 3alpha-hydroxy steroid  . It is also related to or classified as C24-steroid , trihydroxy-5beta-cholanic acid , bile acid , 12alpha-hydroxy steroid .
The molecule OS(=O)(=O)Nc1ccccc1 OS(=O)(=O)Nc1ccccc1 is A sulfamic acid having a phenyl group attached to nitrogen. Its functional parent is aniline . It is a conjugate acid of benzenamine sulfate(1-) . It is also related to or classified as sulfamic acids .
The molecule S(C(=S)NCC1(O)C=2C(NC1=O)=CC=CC2)C S(C(=S)NCC1(O)C=2C(NC1=O)=CC=CC2)C is (-)-Dioxibrassinin. Its functional parent is beta-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule [3He++] [3He++] is nucleus of the (3)He atom. It is also related to or classified as atomic nucleus  . It is also related to or classified as helium(2+)  .
The molecule C(C=1C=C(C(=CC1)O)OS(O)(=O)=O)C2CCC(O2)=O C(C=1C=C(C(=CC1)O)OS(O)(=O)=O)C2CCC(O2)=O is A butan-4-olide that is gamma-valerolactone in which one of the methyl hydrogens has been replaced by a 3-sulfooxy-4-hydroxyphenyl group. It has the role of human urinary metabolite . Its functional parent is gamma-valerolactone .  It is also related to or classified as phenols  . It is also related to or classified as butan-4-olide , aryl sulfate .
The molecule O=C1C2=C(O)C=C(OC)C=C2[C@@H](O)[C@H]3[C@H]1CO[C@H](C3)C O=C1C2=C(O)C=C(OC)C=C2[C@@H](O)[C@H]3[C@H]1CO[C@H](C3)C is Ulosporin D. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule 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 is a methyl glycoside comprising methyl beta-D-glucoside having an beta-D-galactosyl residue at the 4-position. It is a methyl glycoside and a disaccharide derivative. It derives from a beta-lactose.
The molecule S(OC(CCC)C)(OCCCC(C)C)=O S(OC(CCC)C)(OCCCC(C)C)=O is Sulfurous acid, isohexyl 2-pentyl ester. It is also related to or classified as organooxygen compound .
The molecule O=C(O)C(CC(=O)O)OC(=O)C=CC1=CC=C(C=C1)O O=C(O)C(CC(=O)O)OC(=O)C=CC1=CC=C(C=C1)O is A carboxylic ester obtained by formal condensation of the carboxy group of 4-coumaric acid with the hydroxy group of  malic acid. It has the role of human urinary metabolite . Its functional parent is 4-coumaric acid . Its functional parent is malic acid . It is also related to or classified as carboxylic ester  . It is also related to or classified as phenols  . It is also related to or classified as dicarboxylic acid .
The molecule CC(C)CCCCCCCCC[C@@H]1CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)O1)CC(C)C)CC(C)C)CC(=O)O)C(C)C)CC(C)C)CC(C)C)CCC(=O)O is a cyclodepsipeptide that is N-[(3R)-3-hydroxy-13-methyltetradecanoyl]-L-alpha-glutamyl-L-leucyl-D-leucyl-L-valyl-L-alpha-aspartyl-D-leucyl-L-leucine in which the C-terminal carboxy group has been lactonised by condensation with the alcoholic hydroxy group. It has a role as an antibacterial agent, an antifungal agent, an antiviral agent, a surfactant, a metabolite, an antineoplastic agent and a platelet aggregation inhibitor. It is a cyclodepsipeptide, a lipopeptide antibiotic and a macrocyclic lactone.
The molecule O([C@H]1C(O)C(O)[C@H](OC1)OC2C(OC3=C(C2)C(O)=C(OC)C(O)=C3)C4=CC(O)=C(O)C=C4)[C@@H]5OC([C@@H](O)[C@H](O)C5O)CO O([C@H]1C(O)C(O)[C@H](OC1)OC2C(OC3=C(C2)C(O)=C(OC)C(O)=C3)C4=CC(O)=C(O)C=C4)[C@@H]5OC([C@@H](O)[C@H](O)C5O)CO is 3,5,7,3',4'-Pentahydroxy-6-methoxyflavan 3-O-[glucopyranosyl-(4->1)-alpha-D-xylopyranoside]. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule OC1=CC=C(C=C1)/C=C/C=C/C(O)=O OC1=CC=C(C=C1)/C=C/C=C/C(O)=O is Avenalumic acid. It is a conjugate acid of avenalumate . It is also related to or classified as styrenes .
The molecule C1[C@H]([C@H]([C@@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O)O is a glycosyloxyflavone that is luteolin with a 6-O-beta-D-arabinopyranosyl-beta-D-glucopyranosyl entity attached at position 7 via a glycosidic linkage. It has a role as a metabolite. It is a glycosyloxyflavone, a trihydroxyflavone and a disaccharide derivative. It derives from a luteolin.
The molecule c1cn(cn1)[C@@H](c1ccccc1)c1ccc(cc1)-c1ccccc1 c1cn(cn1)[C@@H](c1ccccc1)c1ccc(cc1)-c1ccccc1 is A 1-[biphenyl-4-yl(phenyl)methyl]imidazole that is the S-enantiomer of bifonazole. It is also related to or classified as 1-[biphenyl-4-yl(phenyl)methyl]imidazole  .
The molecule [H]C(=O)CCCNC(N)=[NH2+] [H]C(=O)CCCNC(N)=[NH2+] is conjugate acid of 4-guanidinobutanal; major species at pH 7.3. It is a conjugate acid of 4-guanidinobutanal . It is also related to or classified as guanidinium ion  .
The molecule C1[C@@]2([C@]3(C[C@@H]([C@]4([C@]([C@@]3(C(C[C@@]2(C[C@@H](C1)O)[H])=O)[H])(CC[C@]4([H])[C@@H](CCC(NCC(O)=O)=O)C)[H])C)O)[H])C C1[C@@]2([C@]3(C[C@@H]([C@]4([C@]([C@@]3(C(C[C@@]2(C[C@@H](C1)O)[H])=O)[H])(CC[C@]4([H])[C@@H](CCC(NCC(O)=O)=O)C)[H])C)O)[H])C is A bile acid glycine conjugate that is glycodeoxycholic acid carrying an additional oxo substituent at position 7. Its functional parent is glycodeoxycholic acid . It is a conjugate acid of 7-oxoglycodeoxycholate .  It is also related to or classified as 3alpha-hydroxy steroid  .  It is also related to or classified as 7-oxo steroid  . It is also related to or classified as bile acid glycine conjugate , 12alpha-hydroxy steroid .
The molecule [F+] [F+] is fluorine(1+). It is also related to or classified as monoatomic monocation  . It is also related to or classified as monoatomic fluorine .
The molecule CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\\CCCCCCCC)COP(=O)([O-])OC[C@@H](C(=O)[O-])[NH3+] is a phosphatidylserine 34:1 that is the conjugate base of 1-oleoyl-2-palmitoyl-sn-glycero-3-phospho-L-serine, in which the carboxy and phosphate groups are anionic and the amino group is cationic. It is a conjugate base of a 1-oleoyl-2-palmitoyl-sn-glycero-3-phospho-L-serine.
The molecule CS(=O)(=O)C1=C(N2N(C[C@H](NC(=O)C(=N/OCC=C)\c3csc(N)n3)C2=O)C1)C(O)=O CS(=O)(=O)C1=C(N2N(C[C@H](NC(=O)C(=N/OCC=C)\c3csc(N)n3)C2=O)C1)C(O)=O is A pyrazolopyrazole that is 6,7-dihydro-1H,5H-pyrazolo[1,2-a]pyrazole-3-carboxylic acid which has been substituted at positions 2, 5 and 6 by methylsulfonyl, oxo, and amino groups, respectively, and in which the amino group has been condensed with the carboxy group of (2-amino-1,3-thiazol-4-yl)(oxo)acetic acid, the oxo group of which has been converted to the corresponding oxime O-allyl ether. It is also related to or classified as monocarboxylic acid amide  .  It is also related to or classified as sulfone  . It is also related to or classified as oxime O-ether  . It is also related to or classified as amino acid , 1,3-thiazoles , pyrazolopyrazole .
The molecule C1(=C(C=C(N)C=C1Cl)Cl)NC=2NCC[NH+]2 C1(=C(C=C(N)C=C1Cl)Cl)NC=2NCC[NH+]2 is A guanidinium ion that is the conjugate acid of apraclonidine, obtained by protonation of the guanidino group. Major microspecies at pH 7.3. It is a conjugate acid of apraclonidine . It is also related to or classified as guanidinium ion  .
The molecule C1=CC(=CC=C1CC#N)O is a hydroxynitrile that is phenylacetonitrile substituted by a hydroxy group at position 4. It has a role as a plant metabolite.
The molecule C(CC(=C(CO)[H])[H])C C(CC(=C(CO)[H])[H])C is A primary allylic alcohol that is 2-hexene in which a hydrogen at position 1 has been replaced by a hydroxy group. It has the role of plant metabolite . It is also related to or classified as primary allylic alcohol  . It is also related to or classified as alkenyl alcohol .
The molecule [C@H]1(N2C=CC(=O)NC2=O)[C@@H]([C@@H]([C@@]([C@H]([C@H]([NH3+])C(=O)[O-])O)(O1)[H])O)O [C@H]1(N2C=CC(=O)NC2=O)[C@@H]([C@@H]([C@@]([C@H]([C@H]([NH3+])C(=O)[O-])O)(O1)[H])O)O is major microspecies at pH 7.3. Its functional parent is uridine . Its functional parent is glycine zwitterion . It is also related to or classified as amino-acid zwitterion .
The molecule CC/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCCCCCCC(=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=C(N=CN=C32)N)O)OP(=O)([O-])[O-])O is an acyl-CoA(4-) arising from deprotonation of the phosphate and diphosphate functions of (10Z,13Z,16Z,19Z)-docosatetraenoyl-CoA. It is a polyunsaturated fatty acyl-CoA(4-) and a very long-chain acyl-CoA(4-). It is a conjugate base of a (10Z,13Z,16Z,19Z)-docosatetraenoyl-CoA.
The molecule NCCC[C@H](NC(=O)CCC(O)=O)C(O)=O NCCC[C@H](NC(=O)CCC(O)=O)C(O)=O is N(2)-succinyl-L-ornithine. It has the role of Escherichia coli metabolite . It is a conjugate acid of N(2)-succinyl-L-ornithinate(1-) . It is also related to or classified as N2-acyl-L-ornithine .
The molecule O(C(=O)C(C)C)C=1C(=CC=CC1)C O(C(=O)C(C)C)C=1C(=CC=CC1)C is 2-Methylphenyl 2-methylpropanoate. It is also related to or classified as phenols  . It is also related to or classified as benzoate ester .
The molecule C1[C@@]2([C@]3(C[C@@H]([C@]4([C@]([C@@]3(C(C[C@@]2(C[C@@H](C1)O)[H])=O)[H])(CC[C@@]4([C@@H](CCC(NCCS(O)(=O)=O)=O)C)[H])[H])C)O)[H])C C1[C@@]2([C@]3(C[C@@H]([C@]4([C@]([C@@]3(C(C[C@@]2(C[C@@H](C1)O)[H])=O)[H])(CC[C@@]4([C@@H](CCC(NCCS(O)(=O)=O)=O)C)[H])[H])C)O)[H])C is A bile acid taurine conjugate derived from 7-oxodeoxycholic acid. Its functional parent is taurodeoxycholic acid . It is a conjugate acid of 7-oxotaurodeoxycholate .  It is also related to or classified as monocarboxylic acid amide  . It is also related to or classified as 3alpha-hydroxy steroid  .  It is also related to or classified as 7-oxo steroid  . It is also related to or classified as bile acid taurine conjugate , 12alpha-hydroxy steroid .
The molecule CCCCC(O)CC CCCCC(O)CC is A secondary alcohol that is heptane substituted by a hydroxy group at position 3. It has the role of plant metabolite .  It is also related to or classified as secondary alcohol  . It is also related to or classified as heptanol .
The molecule CCCCC\C=C/[C@@H](OO)\C=C/CCCCCCCC([O-])=O CCCCC\C=C/[C@@H](OO)\C=C/CCCCCCCC([O-])=O is an octadecanoid anion that is the conjugate base of (11R)-11-hydroperoxylinoleic acid arising from deprotonation of the carboxylic acid function; major species at pH 7.3. It is also related to or classified as HPODE(1-) .
The molecule C1=NC2=C(N1[C@H]3[C@H]4[C@@H]([C@H](O3)CO)OP(=O)(O4)[O-])N=C(NC2=O)N is a 2',3'-cyclic nucleotide(1-) which is obtained from 2',3'-cyclic GMP by removal of a proton from the cyclic phosphate group. It is a conjugate base of a 2',3'-cyclic GMP.
The molecule CCc1oc2ccccc2c1C(=O)c1cc(Br)c(O)c(Br)c1 CCc1oc2ccccc2c1C(=O)c1cc(Br)c(O)c(Br)c1 is 1-Benzofuran substituted at C-2 and C-3 by an ethyl group and a 3,5-dibromo-4-hydroxybenzoyl group respectively. An inhibitor of CYP2C9, it is used as an anti-gout medication. It has the role of uricosuric drug . Its functional parent is 2,6-dibromophenol . It is also related to or classified as 1-benzofurans , aromatic ketone .
The molecule C(C/C=C/CO)C C(C/C=C/CO)C is A hex-2-en-1-ol that has (E)-configuration. It is also related to or classified as 2-hexen-1-ol  .
The molecule COC1=CC(=CC2=C1OC(C2CO)C3=CC(=C(C(=C3)OC)OC(CO)C(C4=CC(=C(C=C4)O)OC)O)OC)/C=C/CO is a guaiacyl lignin that is found in Arabidopsis thaliana. It has a role as a plant metabolite. It is a member of 1-benzofurans, a dimethoxybenzene, a guaiacyl lignin, a member of phenols, a primary alcohol and a secondary alcohol. It derives from a guaiacylglycerol and a coniferol.
The molecule O(C=1C=C(CC(=O)C(O)=O)C(O)=CC1O)C O(C=1C=C(CC(=O)C(O)=O)C(O)=CC1O)C is 3-(2,4-dihydroxy-5-methoxyphenyl)-2-oxopropanoic acid. Its functional parent is pyruvic acid . It is also related to or classified as 2-oxo monocarboxylic acid  .
The molecule N[C@@H](CCC([O-])=O)C([O-])=O N[C@@H](CCC([O-])=O)C([O-])=O is an L-alpha-amino acid anion that is the dianion obtained by the deprotonation of the both the carboxy groups of L-glutamic acid. It is also related to or classified as glutamate(2-)  . It is also related to or classified as L-alpha-amino acid anion  .
The molecule C1[C@@]2([C@]3(CC[C@]4([C@]([C@@]3(C(C[C@@]2(C[C@@H](C1)O)[H])=O)[H])(CC[C@@]4([C@@H](CCC(NCC(O)=O)=O)C)[H])[H])C)[H])C C1[C@@]2([C@]3(CC[C@]4([C@]([C@@]3(C(C[C@@]2(C[C@@H](C1)O)[H])=O)[H])(CC[C@@]4([C@@H](CCC(NCC(O)=O)=O)C)[H])[H])C)[H])C is A bile acid glycine conjugate that is glycolithocholic acid carrying an additional oxo substituent at postion 7. Its functional parent is glycolithocholic acid . It is a conjugate acid of 7-oxoglycolithocholate .  It is also related to or classified as 3alpha-hydroxy steroid  . It is also related to or classified as 7-oxo steroid  . It is also related to or classified as bile acid glycine conjugate .
The molecule O(CCCCC)C(=O)C=1OC=CC1 O(CCCCC)C(=O)C=1OC=CC1 is Amyl 2-furoate. Its functional parent is 2-furoic acid . It is also related to or classified as carboxylic ester  .
The molecule C[NH+]1CCC[C@H]1C2=CN=CC=C2 is the conjugate acid of (S)-nicotine arising from selective protonation of the tertiary amino group; major species at pH 7.3. It has a role as a plant metabolite. It is a conjugate acid of a (S)-nicotine. It is an enantiomer of a (R)-nicotinium(1+).
The molecule O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC=2C(C(=O)CCC3=CC=C(O)C=C3)=C(O)C=C(OC)C2)CO O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC=2C(C(=O)CCC3=CC=C(O)C=C3)=C(O)C=C(OC)C2)CO is Asebotin. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule C(=C\[C@@H](/C=C\CCCCC)OO)\CCCCCCCC(=O)O C(=C\[C@@H](/C=C\CCCCC)OO)\CCCCCCCC(=O)O is A linoleic acid hydroperoxide in which the hydroperoxy substituent is located at position 11R. It is a conjugate acid of (11R)-11-hydroperoxylinoleate . It is also related to or classified as linoleic acid hydroperoxide .
The molecule CC1C(=O)C=C2C1(C)C=CCC2(C)C CC1C(=O)C=C2C1(C)C=CCC2(C)C is A member of the class of indenes that is 2,4,5,7a-tetrahydro-1H-indene substituted by methyl groups at positions 1, 4, 4 and 7a and by an oxo group at position 2. It has the role of flavouring agent . It is also related to or classified as indene  .  It is also related to or classified as enone  . It is also related to or classified as cyclic ketone .
The molecule CN\C(NCc1ccccc1)=N/C CN\C(NCc1ccccc1)=N/C is bethanidine. It has the role of antihypertensive agent . It has the role of adrenergic antagonist . It is also related to or classified as guanidines .