anonymous041/ChEBI-Augmented huggingface dataset:
The molecule CC(C)[C@H](C)[C@@H](O)[C@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C CC(C)[C@H](C)[C@@H](O)[C@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C is A brassinosteroid that is ergostan-6-one bearing three additional hydroxy substituents at positions 3alpha, 22R and 23R. It has the role of plant metabolite . It is also related to or classified as C28-steroid  . It is also related to or classified as brassinosteroid , 3alpha-sterol , 22-hydroxy steroid , 23-hydroxy steroid , 6-oxo steroid .
The molecule C1(=C(C(=CC2=C1OC(C=C2C)=O)F)OP([O-])([O-])=O)F C1(=C(C(=CC2=C1OC(C=C2C)=O)F)OP([O-])([O-])=O)F is major microspecies at pH 7.3. Its functional parent is coumarin . It is also related to or classified as coumarins .
The molecule C[C@@H]1C[C@H]2OC(=O)C(=C)[C@H]2[C@H](O)[C@@]2(C)[C@H]1C=CC2=O C[C@@H]1C[C@H]2OC(=O)C(=C)[C@H]2[C@H](O)[C@@]2(C)[C@H]1C=CC2=O is A sesquiterpene lactone that is 3,3a,4,4a,7a,8,9,9a-octahydroazuleno[6,5-b]furan-2,5-dione substituted by a hydroxy group at position 4, methyl groups at positions 4a and 8 and a methylidene group at position 3 (the 3aS,4S,4aR,7aR,8R,9aR stereoisomer). It has the role of metabolite . It has the role of antineoplastic agent . It has the role of anti-inflammatory agent . 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 gamma-lactone  . It is also related to or classified as organic heterotricyclic compound , sesquiterpene lactone , cyclic ketone .
The molecule C(C(=O)O)NC(=O)C(=O)O is an amino dicarboxylic acid that is iminodiacetic acid with an oxo substituent. It is used as an inhibitor of alpha-ketoglutarate dependent (EC 1.14.11.*) enzymes. It has a role as an EC 1.14.11.* (oxidoreductase acting on paired donors, 2-oxoglutarate as one donor, incorporating 1 atom each of oxygen into both donors) inhibitor. It is an amino dicarboxylic acid and a N-acylglycine.
The molecule CS(O)(=O)=O CS(O)(=O)=O is an alkanesulfonic acid in which the alkyl group directly linked to the sulfo functionality is methyl. It has the role of Escherichia coli metabolite . It is a conjugate acid of methanesulfonate . It is also related to or classified as alkanesulfonic acid , one-carbon compound .
The molecule CCCCCC(C)=O CCCCCC(C)=O is A dialkyl ketone with methyl and pentyl as the alkyl groups. It has the role of pheromone . It has the role of mouse metabolite . It is also related to or classified as dialkyl ketone  . It is also related to or classified as methyl ketone .
The molecule [O-]c1c(Br)c2Oc3c(Br)c([O-])c(cc3C3(OC(=O)c4ccccc34)c2cc1[N+]([O-])=O)[N+]([O-])=O [O-]c1c(Br)c2Oc3c(Br)c([O-])c(cc3C3(OC(=O)c4ccccc34)c2cc1[N+]([O-])=O)[N+]([O-])=O is A phenolate anion which is a dianion obtained by the deprotonation of both the phenolic OH groups of eosin b diphenol. It is also related to or classified as phenolate anion .
The molecule O1C(C(OC)C(=O)C=2C1=CC(O)=CC2O)C3=CC=C(O)C=C3 O1C(C(OC)C(=O)C=2C1=CC(O)=CC2O)C3=CC=C(O)C=C3 is 4',5,7-Trihydroxy-3-methoxyflavanone. It is also related to or classified as ether  . It is also related to or classified as flavonoids .
The molecule C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])NCC(=O)N[C@@H](CCCCN)C(=O)NCCC(=O)O is a tripeptide comprising in sequence glycyl, lysyl and beta-alanyl residues, to the nitrogen of the glycyl residue of which is linked a 2,4-dinitrophenyl moiety. It has a role as a peptide probe.
The molecule O(C(=O)CCCCCCCCC/C=C\CCCCCCCC)C(C(C)=C)C#N O(C(=O)CCCCCCCCC/C=C\CCCCCCCC)C(C(C)=C)C#N is type iv cyanolipid 20:1(11z) ester. It is also related to or classified as organic molecular entity .
The molecule [H]C(=O)OC\C=C(/C)CCC=C(C)C [H]C(=O)OC\C=C(/C)CCC=C(C)C is the formate ester of geraniol. It has the role of alarm pheromone . It has the role of plant metabolite . Its functional parent is geraniol . It is also related to or classified as formate ester .
The molecule O[C@@]1([C@]2([C@]([C@@H](CC1)C(C)C)(C=C(CC2)C)[H])[H])C O[C@@]1([C@]2([C@]([C@@H](CC1)C(C)C)(C=C(CC2)C)[H])[H])C is A cadinane sesquiterpenoid that is cadin-4-ene carrying a hydroxy substituent at position 10. It has the role of volatile oil component . 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 octahydronaphthalenes , cadinane sesquiterpenoid , carbobicyclic compound .
The molecule O1CC=2C(=C(O)C(=C(O)C2C)C/C=C(/CCC(O)=O)\C)C1=O O1CC=2C(=C(O)C(=C(O)C2C)C/C=C(/CCC(O)=O)\C)C1=O is 6-O-Desmethyl-mycophenolic acid. It is a conjugate acid of 6-O-desmethylmycophenolate . It is also related to or classified as hydroxybenzoic acid .
The molecule C[C@@H](C1=CC2=C(O1)C(=O)C3=C(C2=O)C(=CC=C3)O)O is a naphthofuran that is naphtho[2,3-b]furan-4,9-dione substituted by a hydroxy group at position 5 and a 1-hydroxyethyl group at position 2 (the S stereoisomer). Isolated from Tabebuia impetiginosa and Tabebuia avellanedae, it exhibits antineoplastic activity. It has a role as a metabolite and an antineoplastic agent. It is a naphthofuran, a member of phenols, a secondary alcohol and a member of p-quinones.
The molecule C1(=C(C(=CC2=C1OC(C=C2C)=O)F)OP(O)(O)=O)F C1(=C(C(=CC2=C1OC(C=C2C)=O)F)OP(O)(O)=O)F is 6,8-difluoro-4-methylumbelliferyl phosphate. Its functional parent is coumarin . It is a conjugate acid of 6,8-difluoro-4-methylumbelliferyl phosphate (2-) . It is also related to or classified as coumarins .
The molecule [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC(=O)[C@@]4([H])C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)[C@@H](O)C[C@@H](C)C(C)C [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC(=O)[C@@]4([H])C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)[C@@H](O)C[C@@H](C)C(C)C is cathasterone. It is also related to or classified as (22S)-22-hydroxy C28-steroid  .  It is also related to or classified as 3beta-hydroxy steroid  .  It is also related to or classified as C28-steroid  . It is also related to or classified as phytosteroid , 6-oxo steroid , 22-hydroxy steroid .
The molecule C(C=O)S(=O)O is an organosulfinic acid that is methanesulfinic acid in which one of the methyl hydrogens has been replaced by a formyl group. It is an organosulfinic acid and an alpha-CH2-containing aldehyde. It is a conjugate acid of a 2-sulfinoacetaldehyde(1-).
The molecule O1C(C(O)C(O)C(O)C1OC2=C(OC=3C(C2=O)=C(O)C=C(O)C3)C4=CC(O)=C(O)C=C4)COC(=O)/C=C/C5=CC=C(O)C=C5 O1C(C(O)C(O)C(O)C1OC2=C(OC=3C(C2=O)=C(O)C=C(O)C3)C4=CC(O)=C(O)C=C4)COC(=O)/C=C/C5=CC=C(O)C=C5 is (6-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methyl (2E)-3-(4-hydroxyphenyl)prop-2-enoate. It is also related to or classified as glycoside  . It is also related to or classified as flavonoid  .
The molecule CC(O)(CC(O)=O)C(O)=O CC(O)(CC(O)=O)C(O)=O is A 2-hydroxydicarboxylic acid that is malic acid (hydroxysuccinic acid) in which the hydrogen at position 2 is substituted by a methyl group. It has the role of plant metabolite . It has the role of human metabolite . It has the role of algal metabolite . Its functional parent is succinic acid . It is a conjugate acid of citramalate(2-) . It is also related to or classified as dicarboxylic fatty acid , 2-hydroxydicarboxylic acid , 3-hydroxy carboxylic acid .
The molecule O1C23C(OC(=O)C12)(C4(O)C(O)(CC56OC5CCC7(C6=C4C(OC7C=8C=COC8)=O)C)C(=O)C3(C)C)C O1C23C(OC(=O)C12)(C4(O)C(O)(CC56OC5CCC7(C6=C4C(OC7C=8C=COC8)=O)C)C(=O)C3(C)C)C is Dukunolide B. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule Oc1cc(O)c(c(O)c1)[N+]([O-])=O Oc1cc(O)c(c(O)c1)[N+]([O-])=O is 2-nitrobenzene-1,3,5-triol. Its functional parent is nitrobenzene . It is also related to or classified as benzenetriol .
The molecule N[C@@H](C[C@@H](O)C(O)=O)C(O)=O N[C@@H](C[C@@H](O)C(O)=O)C(O)=O is erythro-4-hydroxy-L-glutamic acid. It has the role of Saccharomyces cerevisiae metabolite . Its functional parent is L-glutamic acid . It is a conjugate acid of erythro-4-hydroxy-L-glutamate(1-) . It is also related to or classified as 4-hydroxy-L-glutamic acid  .
The molecule CCCCCCCCCCCCCCCCCCCCCCCC(=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 is a beta-D-glucosyl-N-acylsphingosine in which the acyl group is specified as tetracosanoyl. It has a role as a mouse metabolite. It derives from a tetracosanoic acid.
The molecule [O-]C(=O)CCC(N(O)CCCCC[NH3+])=O [O-]C(=O)CCC(N(O)CCCCC[NH3+])=O is major microspecies at pH 7.3. It is also related to or classified as zwitterion  . It is also related to or classified as monocarboxylic acid anion  .
The molecule O1[C@@H]([C@@H](O)C(O)C(O)[C@H]1OC2=C(OC=3C(C2=O)=C(O)C=C(O)C3)C4=CC(OC)=C(O)C(OC)=C4)COC(=O)C O1[C@@H]([C@@H](O)C(O)C(O)[C@H]1OC2=C(OC=3C(C2=O)=C(O)C=C(O)C3)C4=CC(OC)=C(O)C(OC)=C4)COC(=O)C is Syringetin 3-(6''-acetylglucoside). It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule O(C(=O)CCCCCCCCCCCCCC/C=C/C)C O(C(=O)CCCCCCCCCCCCCC/C=C/C)C is A fatty acid methyl ester obtained by formal condensation of the carboxy group of (16E)-octadec-16-enoic acid with methanol. It is also related to or classified as fatty acid methyl ester  .
The molecule C1C[C@@H]([C@@]2([C@@]3([C@H]1C)CC[C@@]([C@@]23[H])(O)C)[H])C(C)C C1C[C@@H]([C@@]2([C@@]3([C@H]1C)CC[C@@]([C@@]23[H])(O)C)[H])C(C)C is A sesquiterpenoid consisting of octahydro-1H-cyclopenta[1,3]cyclopropa[1,2]benzen-3-ol carrying two additional methyl substituents at positions 3 and 7 as well as an isopropyl substituent at position 4 (the 3S,3aS,3bS,4R,7S,7aS diastereomer).  It is also related to or classified as tertiary alcohol  . It is also related to or classified as sesquiterpenoid , carbotricyclic compound .
The molecule CN1C(=O)CN=C(c2ccccc2F)c2cc(Cl)ccc12 CN1C(=O)CN=C(c2ccccc2F)c2cc(Cl)ccc12 is fludiazepam. It has the role of anxiolytic drug . Its functional parent is diazepam . Its functional parent is monofluorobenzene .  It is also related to or classified as organochlorine compound  . It is also related to or classified as organofluorine compound  . It is also related to or classified as 1,4-benzodiazepinone .
The molecule OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](OC[C@H]3OC(O)[C@H](O)[C@@H](O)[C@@H]3O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](OC[C@H]3OC(O)[C@H](O)[C@@H](O)[C@@H]3O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O is A glucotriose consisting of two alpha-D-glucopyranose residues and a D-glucopyranose residue joined in sequence by (1->4) and (1->6) glycosidic bonds. It is also related to or classified as glucotriose .
The molecule [H]C(=C([H])C([O-])=O)C([O-])=O [H]C(=C([H])C([O-])=O)C([O-])=O is butenedioate. It is also related to or classified as C4-dicarboxylate  . It is also related to or classified as dicarboxylic acid dianion  .
The molecule C=1C(=CC=CC1)CC=2N(C=C(C(C2)=O)C(=O)N)[C@@H](CC=3C=CC=CC3)C=4OC(C=C(C4)OC)=O C=1C(=CC=CC1)CC=2N(C=C(C(C2)=O)C(=O)N)[C@@H](CC=3C=CC=CC3)C=4OC(C=C(C4)OC)=O is A pyridine alkaloid with formula C27H24N2O5 that is isolated from Aspergillus niger and displays neuroprotective protperties. It has the role of neuroprotective agent . It has the role of Aspergillus metabolite .   It is also related to or classified as monocarboxylic acid amide  . It is also related to or classified as 4-pyridones , pyridine alkaloid , aromatic ether , 2-pyranones .
The molecule C1OC2=C(O1)C(=C3C(=C2)OC=C(C3=O)C4=CC=C(C=C4)O)O is a hydroxyisoflavone that is 6,7-methylenedioxyisoflavone substituted by hydroxy groups at positions 5 and 4'. It has a role as an immunomodulator, an antineoplastic agent and a metabolite. It is a hydroxyisoflavone, an oxacycle and an organic heterotricyclic compound.
The molecule O1[C@H]([C@H](O)[C@@H](O)[C@@H](O)[C@@H]1OC2=C(OC3=C(C2=O)C(O)=CC=4OC(C=CC34)(C)C)C5=CC=C(O)C=C5)C O1[C@H]([C@H](O)[C@@H](O)[C@@H](O)[C@@H]1OC2=C(OC3=C(C2=O)C(O)=CC=4OC(C=CC34)(C)C)C5=CC=C(O)C=C5)C is Ikarisoside E. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule OC1C=2C=3C(C(=O)C1O)=C(C=CC3C=CC2)C4=CC=C(O)C=C4 OC1C=2C=3C(C(=O)C1O)=C(C=CC3C=CC2)C4=CC=C(O)C=C4 is Musanolone C. It is also related to or classified as benzenes , naphthalenes , ring assembly .
The molecule CC(=C)C([O-])=O CC(=C)C([O-])=O is A monocarboxylic acid anion that is obtained by removal of a proton from the carboxylic acid group of methacrylic acid. Its functional parent is acrylate . It is also related to or classified as monocarboxylic acid anion  .
The molecule C[C@H](CC(=O)O[C@H](C)CC(=O)[O-])O is a hydroxy monocarboxylic acid anion that is the conjugate base of (R)-3-[(R)-3-hydroxybutanoyloxy]butanoic acid It derives from a butyrate. It is a conjugate base of a (R)-3-[(R)-3-hydroxybutanoyloxy]butanoic acid.
The molecule OC1CC2[C@@](C3C(C4[C@@](C(CC4)[C@@H](CCCC(C)C)C)(CC3)C)CC2)(CC1)C OC1CC2[C@@](C3C(C4[C@@](C(CC4)[C@@H](CCCC(C)C)C)(CC3)C)CC2)(CC1)C is cholestan-3-ol. It is also related to or classified as phytosterols , cholestanoid , 3-hydroxy steroid .
The molecule C1CC=C([C@]2([C@]1(CC[C@@H](C2)C(C)(C)O)C)[H])C C1CC=C([C@]2([C@]1(CC[C@@H](C2)C(C)(C)O)C)[H])C is A eudesmane sesquiterpenoid in which the eudesmane skeleton carries a hydroxy substituent at C-11 and has a double bond between C-3 and C-4. It has the role of volatile oil component . 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 octahydronaphthalenes , eudesmane sesquiterpenoid .
The molecule CC(=O)NCCCCC(=O)C(O)=O CC(=O)NCCCCC(=O)C(O)=O is A member of the class of  acetamides that is the acetyl derivative of 6-amino-2-oxohexanoic acid. It has the role of metabolite . Its functional parent is 6-amino-2-oxohexanoic acid . It is a conjugate acid of 6-acetamido-2-oxohexanoate .  It is also related to or classified as 2-oxo monocarboxylic acid  . It is also related to or classified as acetamides .
The molecule C[C@@H]1O[C@@H](OCCCCCC(O)=O)[C@H](O)C[C@H]1O C[C@@H]1O[C@@H](OCCCCCC(O)=O)[C@H](O)C[C@H]1O is an omega-hydroxy fatty acid ascaroside obtained by formal condensation of the alcoholic hydroxy group of 6-hydroxyhexanoic acid with ascarylopyranose (the alpha anomer). It is a metabolite of the nematode Caenorhabditis elegans. It has the role of Caenorhabditis elegans metabolite . Its functional parent is 6-hydroxyhexanoic acid . It is a conjugate acid of oscr#12(1-) . It is also related to or classified as monocarboxylic acid , omega-hydroxy fatty acid ascaroside .
The molecule C(C=1NC=C(C(C1)=O)C(N)=O)C=2C=CC=CC2 C(C=1NC=C(C(C1)=O)C(N)=O)C=2C=CC=CC2 is A member of the class of 4-pyridones that is 4-pyridone in which the hydrogens at positions 3 and 6 have been replaced by aminocarbonyl and benzyl groups, respectively. It has been isolated from the Cynodon dactylon-associated endophytic fungus Cladosporium herbarum IFB-E002 and from a sponge-derived Aspergillus niger. It has the role of Aspergillus metabolite .  It is also related to or classified as alkaloid  . It is also related to or classified as monocarboxylic acid amide  . It is also related to or classified as 4-pyridones .
The molecule C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)OS(=O)(=O)O)O)OS(=O)(=O)O)OS(=O)(=O)O)O is a quercetin trissulfate having the three sulfo groups placed at the 3-, 3'- and 7-positions. It is a dihydroxyflavone and a quercetin trissulfate. It is a conjugate acid of a quercetin 3,3',7-trissulfate(3-).
The molecule [H]SSSSS[H] [H]SSSSS[H] is pentasulfane. It is a conjugate acid of pentasulfanide . It is also related to or classified as sulfur hydride .
The molecule C(NC(=O)N)O is a member of the class of ureas that is urea in which one of the amino hydrogens is replaced by a hydroxymethyl group.
The molecule [H]O[Mn](=O)(=O)=O [H]O[Mn](=O)(=O)=O is permanganic acid. It is a conjugate acid of permanganate . It is also related to or classified as manganese oxoacid .
The molecule Cn1c2nc(Nc3cccc(CN)c3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O Cn1c2nc(Nc3cccc(CN)c3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O is an analogue of PD173955 where the methylmercapto group is replaced by aminomethyl. Its functional parent is PD173955 . It is also related to or classified as dichlorobenzene  . It is also related to or classified as pyridopyrimidine  .
The molecule C\C1=C/CC2(C)CCC(C)(C)C=C2CC\C(C)=C\CC1 C\C1=C/CC2(C)CCC(C)(C)C=C2CC\C(C)=C\CC1 is A bicyclic diterpene consisting of 2,3,5,6,9,10,13,13a-octahydro-1H-benzo[11]annulene carrying five methyl substituents at positions 3, 3, 7, 11 and 13a. It has the role of plant metabolite . It is also related to or classified as diterpene  . It is also related to or classified as polycyclic olefin , carbobicyclic compound .
The molecule CCCC(=O)CCCCCO CCCC(=O)CCCCCO is an aliphatic alcohol that is nonan-1-ol carrying an oxo group at position 6. It has the role of pheromone . It is also related to or classified as medium-chain primary fatty alcohol  . It is also related to or classified as dialkyl ketone  . It is also related to or classified as aliphatic alcohol  .
The molecule [C@@]12([C@@H](CC[C@@]([C@@]1([C@H](CC2)CC(O)(C)C)[H])(O)C)O)C [C@@]12([C@@H](CC[C@@]([C@@]1([C@H](CC2)CC(O)(C)C)[H])(O)C)O)C is A sesqiterpenoid that is octahydro-1H-indene which is substituted by a 2-hydroxy-2-methylpropyl group at position 1, methyl groups at positions 3a and 7, and hydroxy groups at positions 4 and 7 (the 1R,3aR,4R,7S,7aR stereoisomer). It has been isolated from various Homalomena species. It has the role of plant metabolite . Its functional parent is oppsit-4(15)-ene-1beta,11-diol .  It is also related to or classified as tertiary alcohol  .  It is also related to or classified as secondary alcohol  . It is also related to or classified as sesquiterpenoid , triol , carbobicyclic compound .
The molecule CO[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)[C@H]1O CO[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)[C@H]1O is A member of the class of methyl myo-inositols that is cyclohexane-1,2,3,4,5-pentol substituted by a methoxy group at position 6 ( the 1R,2R,3R,4R,5S,6R-isomer). It is also related to or classified as methyl myo-inositols .
The molecule C[C@@H]1O[C@@H](OCCCCCCCCC(O)=O)[C@H](O)C[C@H]1O C[C@@H]1O[C@@H](OCCCCCCCCC(O)=O)[C@H](O)C[C@H]1O is an omega-hydroxy fatty acid ascaroside obtained by formal condensation of the alcoholic hydroxy group of 9-hydroxynonanoic acid with ascarylopyranose (the alpha anomer). It is a metabolite of the nematode Caenorhabditis elegans. It has the role of Caenorhabditis elegans metabolite . Its functional parent is 9-hydroxynonanoic acid . It is a conjugate acid of oscr#10(1-) . It is also related to or classified as monocarboxylic acid , omega-hydroxy fatty acid ascaroside .
The molecule C(=C\C=C\C(CCCCCCCC(O)=O)=O)\CCCCC C(=C\C=C\C(CCCCCCCC(O)=O)=O)\CCCCC is an oxooctadecadienoic acid that consists of (10E,12Z)-octadecadienoic acid with the oxo substituent located at position 9. It has the role of metabolite . Its functional parent is 9-HODE . It is a conjugate acid of 9-oxo-ODE(1-) . It is also related to or classified as enone  . It is also related to or classified as oxooctadecadienoic acid .
The molecule C\C(=C/C(O)=O)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12 C\C(=C/C(O)=O)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12 is an omega-carboxyacyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the 1-carboxy group of mesaconic acid. It has the role of human metabolite . Its functional parent is mesaconic acid . It is a conjugate acid of mesaconyl-CoA(5-) . It is also related to or classified as omega-carboxyacyl-CoA  .
The molecule CN1C(CCCNC(N)=N)=CN2C=CC=C2C1=O CN1C(CCCNC(N)=N)=CN2C=CC=C2C1=O is A pyrrolopyrazine that is pyrrolo[1,2-a]pyrazin-1(2H)-one substituted by methyl and 3-carbamimidamidopropyl groups at positions 2 and 3, respectively. It is isolated from perennial ryegrass infected with the endophytic fungus Acremonium lolia and exhibits antifeedant activity. It has the role of antifeedant . It has the role of fungal metabolite . It is also related to or classified as alkaloid  . It is also related to or classified as guanidines , pyrrolopyrazine .
The molecule CCOc1cccc(c1)C([O-])=O CCOc1cccc(c1)C([O-])=O is 3-ethoxybenzoate. Its functional parent is benzoate . It is also related to or classified as ethoxybenzoate  .
The molecule O=C1C(C2=CC=C(O)C=C2)=COC3=C1C=C(OC)C(=C3)O[C@@H]4OC(C(OC)[C@H]([C@@H]4O)O)CO O=C1C(C2=CC=C(O)C=C2)=COC3=C1C=C(OC)C(=C3)O[C@@H]4OC(C(OC)[C@H]([C@@H]4O)O)CO is 7,4′-dihydroxy-6-methoxyisoflavone-7-O-(4′′-O-methyl)-beta-D-glucopyranoside. It is also related to or classified as acrovestone  . It is also related to or classified as isoflavonoid .
The molecule CC1=CC=CC=C1N2C(=NC3=CC=CC=C3C2=O)C is a member of the class of quinazolines that is quinazolin-4-one substituted at positions 2 and 3 by methyl and o-tolyl groups respectively. A depressant that increases the activity of the GABA receptors in the brain and nervous system, it is used as a sedative and hypnotic medication. It became popular as a recreational drug and club drug in the late 1960s and 1970s. It has a role as a GABA agonist and a sedative.
The molecule CC(C)C1CCC(C)CC1=O CC(C)C1CCC(C)CC1=O is A p-menthane monoterpenoid that is p-menthane substituted by an oxo group at position 3. It has the role of volatile oil component . It has the role of plant metabolite . It is also related to or classified as p-menthane monoterpenoid .
The molecule O1C(CC(C2=C1C(C(C)(C)C=C)=C3OC(=O)C=CC3=C2O)C=4C=5NC6=C(C(=O)C5C(O)=CC4OC)C=CC(OC)=C6OC)(C)C O1C(CC(C2=C1C(C(C)(C)C=C)=C3OC(=O)C=CC3=C2O)C=4C=5NC6=C(C(=O)C5C(O)=CC4OC)C=CC(OC)=C6OC)(C)C is 1-Hydroxy-4-[5-hydroxy-2,2-dimethyl-10-(2-methylbut-3-en-2-yl)-8-oxo-2H,3H,4H,8H-pyrano[3,2-g]chromen-4-yl]-3,5,6-trimethoxy-9,10-dihydroacridin-9-one. Its functional parent is acridone . It is also related to or classified as acridines .
The molecule O(C(=O)CCCCCC=CCCCCCCCC)C O(C(=O)CCCCCC=CCCCCCCCC)C is 7-Hexadecenoic acid, methyl ester. It is also related to or classified as fatty acid methyl ester  .
The molecule O=C1NCC(=O)NC1C O=C1NCC(=O)NC1C is A member of the class of 2,5-diketopiperazines that is piperazine substituted by oxo groups at positions 2 and 5, and by a methyl group at position 3. It has the role of Penicillium metabolite . It is also related to or classified as 2,5-diketopiperazines  .
The molecule O(C=1C=CC(=CC1Br)Br)C=2C=CC(=C(C2)Br)Br O(C=1C=CC(=CC1Br)Br)C=2C=CC(=C(C2)Br)Br is A polybromodiphenyl ether that is diphenyl ether in which the hydrogens at the 2, 4, 3', and 4' positions have been replaced by bromines. It is also related to or classified as polybromodiphenyl ether .
The molecule COc1ccc(cc1)-c1coc2cc(O[C@@H]3O[C@H](COC(=O)CC(O)=O)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c2c1=O COc1ccc(cc1)-c1coc2cc(O[C@@H]3O[C@H](COC(=O)CC(O)=O)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c2c1=O is A glycosyloxyisoflavone that is biochanin A 7-O-beta-D-glucoside in which the hydroxy group at position 6 of the glucosyl moiety has been acylated by one of the carboxy groups of malonic acid. Its functional parent is biochanin A . It is a conjugate acid of biochanin A 7-O-beta-D-glucoside 6''-O-malonate . It is also related to or classified as 4'-methoxyisoflavones  . It is also related to or classified as beta-D-glucoside  . It is also related to or classified as glycosyloxyisoflavone .
The molecule C[C@@H]1O[C@@H](OCCCCCCC(O)=O)[C@H](O)C[C@H]1O C[C@@H]1O[C@@H](OCCCCCCC(O)=O)[C@H](O)C[C@H]1O is an omega-hydroxy fatty acid ascaroside obtained by formal condensation of the alcoholic hydroxy group of 7-hydroxyheptanoic acid with ascarylopyranose (the alpha anomer).  It is a metabolite of the nematode Caenorhabditis elegans. It has the role of Caenorhabditis elegans metabolite . Its functional parent is 7-hydroxyheptanoic acid . It is a conjugate acid of oscr#1(1-) . It is also related to or classified as monocarboxylic acid , omega-hydroxy fatty acid ascaroside .