anonymous041/ChEBI-Augmented huggingface dataset:
The molecule C1=CC(=CC=C1C/C(=N/O)/C(=O)O)O is a ketoxime obtained by condensation of the keto group of 4-hydroxyphenylpyruvic acid with hydroxylamine. It has a role as a fungal metabolite and a marine metabolite. It is a ketoxime, a monocarboxylic acid and a phenol. It derives from a (4-hydroxyphenyl)pyruvic acid.
The molecule S1S[C@]23N([C@@H]4[C@@H](O)C=C[C@@H]([C@H]4C2)O)C([C@]15N([C@@H]6[C@@H](O)C=C[C@@H]([C@H]6C5)O)C3=O)=O S1S[C@]23N([C@@H]4[C@@H](O)C=C[C@@H]([C@H]4C2)O)C([C@]15N([C@@H]6[C@@H](O)C=C[C@@H]([C@H]6C5)O)C3=O)=O is Brocazine E.  It is also related to or classified as organic disulfide  .  It is also related to or classified as 2,5-diketopiperazines  . It is also related to or classified as indoles , organic heteropentacyclic compound .
The molecule O([C@@H]1[C@H](O)[C@@H](O)[C@@H](O[C@@H]1CO)OC2=C(O)C=C(C=C2)/C=C/C(=O)C3=CC=CC=C3)[C@H]4OC[C@H](O)[C@H](O)[C@H]4O O([C@@H]1[C@H](O)[C@@H](O)[C@@H](O[C@@H]1CO)OC2=C(O)C=C(C=C2)/C=C/C(=O)C3=CC=CC=C3)[C@H]4OC[C@H](O)[C@H](O)[C@H]4O is 3,4-Dihydroxychalcone 4-beta-L-arabinopyranosyl-(1->4)-galactoside. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule C1[C@H]2[C@@H]([C@H](O[C@@H]1O2)/C=C/[C@H](CCCC(C)O)O)C/C=C\CCCC(=O)O C1[C@H]2[C@@H]([C@H](O[C@@H]1O2)/C=C/[C@H](CCCC(C)O)O)C/C=C\CCCC(=O)O is A thromboxane A that is thromboxane A2 carrying an additional hydroxy substituent at position 19. It has the role of human xenobiotic metabolite . Its functional parent is thromboxane A2 . It is a conjugate acid of 19-hydroxythromboxane A2(1-) . It is also related to or classified as secondary allylic alcohol  . It is also related to or classified as diol  .  It is also related to or classified as thromboxanes A  . It is also related to or classified as epoxy monocarboxylic acid .
The molecule O1[C@@H]([C@@H](O)CC2=C3CCC4=C(C3=C(OC)C=C12)C=CC(O)=C4)C5=CC(OC)=C(O)C=C5 O1[C@@H]([C@@H](O)CC2=C3CCC4=C(C3=C(OC)C=C12)C=CC(O)=C4)C5=CC(OC)=C(O)C=C5 is Shanciol. It is also related to or classified as ether  . It is also related to or classified as flavonoids .
The molecule OC(=O)C1=CC2=C(C=C1)N=C(CN1CCC(CC1)C1=NC(OCC3=C(F)C=C(C=C3)C#N)=CC=C1)N2C[C@@H]1CCO1 OC(=O)C1=CC2=C(C=C1)N=C(CN1CCC(CC1)C1=NC(OCC3=C(F)C=C(C=C3)C#N)=CC=C1)N2C[C@@H]1CCO1 is A benzimidazolecarboxylic acid that is 1H-benzimidazole substituted by (2S)-oxetan-2-ylmethyl, (4-{6-[(4-cyano-2-fluorobenzyl)oxy]pyridin-2-yl}piperidin-1-yl)methyl, and carboxy groups at positions 1, 2, and 6, respectively. It is a glucagon-like peptide-1 receptor agonist in development for the treatment of type 2 diabetes and obesity. It has the role of hypoglycemic agent . It has the role of glucagon-like peptide-1 receptor agonist . It has the role of anti-obesity agent . It is also related to or classified as nitrile  .      It is also related to or classified as monofluorobenzenes  . It is also related to or classified as piperidines , pyridines , aromatic ether , benzimidazolecarboxylic acid , oxetanes .
The molecule C1[C@H](C[C@H]([C@@](C1)(C=C)C)C(C)=C)C(O)(C)C C1[C@H](C[C@H]([C@@](C1)(C=C)C)C(C)=C)C(O)(C)C is A sesquiterpenoid that is isopropanol which is substituted at position 2 by a (3S,4S)-3-isopropenyl-4-methyl-4-vinylcyclohexyl group. It has the role of fragrance . 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 sesquiterpenoid , olefinic compound .
The molecule CCCCC[C@@H](CC/C=C\\C=C\\C=C\\[C@H]([C@H](CCCC(=O)[O-])O)O)O is a hydroxy fatty acid anion obtained by deprotonation of the carboxy function of 13,14-dihydrolipoxin A4; major species at pH 7.3. It has a role as a human metabolite. It is a hydroxy fatty acid anion, a long-chain fatty acid anion, a polyunsaturated fatty acid anion and an icosanoid anion.
The molecule FC1(F)C(F)(F)C(F)(F)C2(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C2(F)C1(F)F FC1(F)C(F)(F)C(F)(F)C2(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C2(F)C1(F)F is A fluorocarbon that is decalin in which every hydrogen is replaced by fluorine. Capable of dissolving large quantities of oxygen, it has been used as the basis of an artificial blood substitute. It has the role of blood substitute . It has the role of solvent . It is also related to or classified as fluorocarbon  .
The molecule C([C@H]([C@@H](CO)O)O)O is the D-enantiomer of threitol. It has a role as a human metabolite. It is an enantiomer of a L-threitol.
The molecule F[Xe](F)(F)(F)=O F[Xe](F)(F)(F)=O is A xenon molecular entity comprising of a central xenon atom that carries four fluoro groups and one oxo group. It has the role of NMR chemical shift reference compound . It is also related to or classified as fluorine molecular entity , oxygen molecular entity , xenon molecular entity .
The molecule OC(=O)CCC/C=C\CC/C=C\CCCCCCCCCCCCC(C)C OC(=O)CCC/C=C\CC/C=C\CCCCCCCCCCCCC(C)C is 23-methyl-5Z,9Z-tetracosadienoic acid. It is also related to or classified as very long-chain fatty acid  .
The molecule CCCCC[C@H](O)\C=C\[C@H]1O[C@H]2C[C@H](O2)[C@@H]1C\C=C/CCCC([O-])=O CCCCC[C@H](O)\C=C\[C@H]1O[C@H]2C[C@H](O2)[C@@H]1C\C=C/CCCC([O-])=O is conjugate base of thromboxane A2 arising from deprotonation of the carboxylic acid function. It has the role of human metabolite .  It is also related to or classified as monocarboxylic acid anion  . It is also related to or classified as thromboxane anion .
The molecule C=1(C=CC2=C(C1)C(\C(=C\3/NC=4C=CC(=CC4C3=O)S([O-])(=O)=O)\N2)=O)S([O-])(=O)=O C=1(C=CC2=C(C1)C(\C(=C\3/NC=4C=CC(=CC4C3=O)S([O-])(=O)=O)\N2)=O)S([O-])(=O)=O is an organosulfonate oxoanion resulting from the deprotonation of the two sulfo groups of indigo carmine. It is also related to or classified as organosulfonate oxoanion  .
The molecule C1=C(C2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N=C(NC2=O)N)C(=O)N is a 7-deazaguanosine ribonucleoside that has 7-carbamoyl-7-deazaguanine as the nucleobase. It is present in archaeal tRNA and has also been found in bacterial DNA. It is a 7-deazaguanine ribonucleoside and a primary carboxamide. It derives from a 7-carboxy-7-deazaguanine and an archaeosine.
The molecule N12CCCCN1C(N(C2=S)C=3C(=CC(=C(C3)SCC(=O)OC)Cl)F)=O N12CCCCN1C(N(C2=S)C=3C(=CC(=C(C3)SCC(=O)OC)Cl)F)=O is A triazolopyridazine that is tetrahydro-1H-[1,2,4]triazolo[1,2-a]pyridazine which is substituted at positions 1, 3, and 4 by oxo, sulfanyl  and 4-chloro-2-fluoro-5-[(2-methoxy-2-oxoethyl)sulfanyl]phenyl groups, respectively. The active metabolite of the proherbicide fluthiacet-methyl. It has the role of herbicide . It has the role of EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor . It is also related to or classified as methyl ester  .     It is also related to or classified as monofluorobenzenes  . It is also related to or classified as aryl sulfide , triazolopyridazine , thiocarbonyl compound , monochlorobenzenes .
The molecule C=1(O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C([O-])=O)O)O)O)C=CC(=C(C1)OC)NC(C)=O C=1(O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C([O-])=O)O)O)O)C=CC(=C(C1)OC)NC(C)=O is A beta-D-glucosiduronate that is the conjugate base of 2-methoxyacetaminophen glucuronide, obtained by deprotonation of the carboxy group; major species at pH 7.3. It has the role of drug metabolite . It is also related to or classified as beta-D-glucosiduronate  .
The molecule CC1(C)C=C(CSS(C)(=O)=O)C(C)(C)N1[O] CC1(C)C=C(CSS(C)(=O)=O)C(C)(C)N1[O] is an aminooxyl that is pyrroline substituted by an oxidanediyl group at position 1, by methyl groups at positions 2, 2, 5 and 5, and by a [(methylsulfonyl)sulfanyl]methyl group at position 3. It is a highly reactive thiol-specific spin label. It has the role of spin label . It is also related to or classified as pyrroline  .  It is also related to or classified as thiosulfonate ester  . It is also related to or classified as aminoxyls .
The molecule O(CC1=CC=CC=C1)C(=O)CCC O(CC1=CC=CC=C1)C(=O)CCC is Phenylmethyl butanoate. Its functional parent is benzyl alcohol . It is also related to or classified as carboxylic ester  .
The molecule O1/C(/C[C@]2([C@@]1(C[C@H]([C@@H]2/C=C/[C@H](CCCC(C)O)O)O)[H])[H])=C\CCCC(O)=O O1/C(/C[C@]2([C@@]1(C[C@H]([C@@H]2/C=C/[C@H](CCCC(C)O)O)O)[H])[H])=C\CCCC(O)=O is A prostaglandin I that consists of prostaglandin I1 carrying an additional hydroxy substituent at position 19. It has the role of human xenobiotic metabolite . Its functional parent is prostaglandin I2 . It is a conjugate acid of 19-hydroxyprostaglandin I2(1-) . It is also related to or classified as secondary allylic alcohol  . It is also related to or classified as prostaglandins I  . It is also related to or classified as triol , hydroxy monocarboxylic acid .
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 A quinate that is the conjugate base of 1,3-dicaffeoylquinic acid. It has the role of plant metabolite . It is also related to or classified as quinate .
The molecule [Y+3].[O-][N+]([O-])=O.[O-][N+]([O-])=O.[O-][N+]([O-])=O [Y+3].[O-][N+]([O-])=O.[O-][N+]([O-])=O.[O-][N+]([O-])=O is the inorganic nitrate salt of yttrium(III). It has the role of NMR chemical shift reference compound . It is also related to or classified as yttrium molecular entity , inorganic nitrate salt .
The molecule C=1C(=CC(=CC1)C=2C=CC=C(C2)C(=O)C)C3=NN(C=C3)CCN4CCOCC4 C=1C(=CC(=CC1)C=2C=CC=C(C2)C(=O)C)C3=NN(C=C3)CCN4CCOCC4 is A member of the class of pyrazoles 1-[2-(morpholin-4-yl)ethyl]pyrazole carrying an additional 3'-acetyl-1,1'-biphenyl-3-yl group at position 3. An antagonist at LRH-1. It has the role of LRH-1 antagonist . It is also related to or classified as pyrazoles , ring assembly , morpholines , methyl ketone , aromatic ketone .
The molecule O1C2=C(C(=O)C(OC)=C1C3=CC(O)=C(O)C=C3)C(O)=C(O)C(O)=C2 O1C2=C(C(=O)C(OC)=C1C3=CC(O)=C(O)C=C3)C(O)=C(O)C(O)=C2 is Quercetagetin 3-methyl ether. It is also related to or classified as ether  . It is also related to or classified as flavonoids .
The molecule C1CC=C(CCC(C=CC1(O)C)C(C)C)C C1CC=C(CCC(C=CC1(O)C)C(C)C)C is A germacrane sesquiterpenoid that is germacrene D in which the exocyclic double bond has undergone formal addition of water to afford the corresponding tertiary alcohol. It has the role of volatile oil component . It has the role of plant metabolite . It is also related to or classified as tertiary allylic alcohol  . It is also related to or classified as alicyclic compound , germacrane sesquiterpenoid , olefinic compound .
The molecule FC(F)(F)C1(F)C(F)(F)C(F)(F)C(F)(N2C(F)(F)C(F)(F)C(F)(F)C(F)(F)C2(F)F)C(F)(F)C1(F)F FC(F)(F)C1(F)C(F)(F)C(F)(F)C(F)(N2C(F)(F)C(F)(F)C(F)(F)C(F)(F)C2(F)F)C(F)(F)C1(F)F is perfluoro-N-(4-methylcyclohexyl)piperidine. It has the role of blood substitute . Its functional parent is N-cyclohexylpiperidine . It is also related to or classified as organofluorine compound  .
The molecule C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC4[C@H]([C@H]([C@@H]([C@H](O4)[C@H](CO)O)O)O)O)O)O)N is an ADP-glycero-D-manno-heptose having L-glycero-configuration at the 6-position of the heptose portion. It has a role as an Escherichia coli metabolite. It is a conjugate acid of an ADP-L-glycero-D-manno-heptose(2-).
The molecule [H+].[O-]C(=O)c1cccnc1C([O-])=O [H+].[O-]C(=O)c1cccnc1C([O-])=O is A carboxypyridinecarboxylate that is the conjugate base of quinolinic acid. It has the role of mouse metabolite . It has the role of human metabolite . It is a conjugate acid of quinolinate(2-) .  It is also related to or classified as carboxypyridinecarboxylate  . It is also related to or classified as quinolinate .
The molecule [H][C@]12C[C@@H](O)[C@H](\C=C\[C@@H](O)CCCCC)[C@@]1([H])C\C(O2)=C\CCCC([O-])=O [H][C@]12C[C@@H](O)[C@H](\C=C\[C@@H](O)CCCCC)[C@@]1([H])C\C(O2)=C\CCCC([O-])=O is conjugate base of prostaglandin I2. It has the role of human metabolite . It is also related to or classified as prostaglandin carboxylic acid anion .
The molecule C(=[NH2+])(NCCC[C@@H](C(=O)N1[C@H](C(N2[C@H](C(=O)NCC(N[C@H](C(N[C@H](C(=O)N3[C@H](C(=O)N[C@H](C(N[C@H](C([O-])=O)CCCNC(=[NH2+])N)=O)CC=4C=CC=CC4)CCC3)CO)=O)CC=5C=CC=CC5)=O)CCC2)=O)CCC1)[NH3+])N C(=[NH2+])(NCCC[C@@H](C(=O)N1[C@H](C(N2[C@H](C(=O)NCC(N[C@H](C(N[C@H](C(=O)N3[C@H](C(=O)N[C@H](C(N[C@H](C([O-])=O)CCCNC(=[NH2+])N)=O)CC=4C=CC=CC4)CCC3)CO)=O)CC=5C=CC=CC5)=O)CCC2)=O)CCC1)[NH3+])N is A peptide cation obtained by deprotonation of the carboxy group and protonation of the amino and guanidino groups of bradykinin; major species at pH 7.3. It is a conjugate acid of bradykinin . It is also related to or classified as peptide cation .
The molecule OC(=O)CNC(=O)C1=NC=C(C=C1O)C1=CC(=NO1)C1=CC(Cl)=CC=C1 OC(=O)CNC(=O)C1=NC=C(C=C1O)C1=CC(=NO1)C1=CC(Cl)=CC=C1 is A member of the class of isoxazoles that is 1,2-oxazole substituted by 3-chlorophenyl and 6-[(carboxymethyl)carbamoyl]-5-hydroxypyridin-3-yl groups at positions 3 and 5, respectively. It is a potent inhibitor of factor inhibiting HIF (FIH) and a potential treatment for obesity. It has the role of anti-obesity agent . It is also related to or classified as secondary carboxamide  .    It is also related to or classified as isoxazoles  . It is also related to or classified as monocarboxylic acid , pyridinecarboxamide , monohydroxypyridine , monochlorobenzenes .
The molecule O(C1=C(OC)C=C(OC(=O)C)C=C1OC)C O(C1=C(OC)C=C(OC(=O)C)C=C1OC)C is 3,4,5-Trimethoxyphenyl acetate. It is also related to or classified as phenols  . It is also related to or classified as benzoate ester .
The molecule CC(=O)C1=CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C)C is a sterol 3beta-D-glucoside in which the parent sterol is 16,17-didehydropregnenolone. It is a sterol 3-beta-D-glucoside, a monosaccharide derivative and a 20-oxo steroid. It derives from a 16,17-didehydropregnenolone.
The molecule O(P(=O)(OC[C@H](CO)O)[O-])C[C@H](OC(CCCCCCCCCCC(CC)C)=O)COC(CCCCCCCCCCCCC(CC)C)=O O(P(=O)(OC[C@H](CO)O)[O-])C[C@H](OC(CCCCCCCCCCC(CC)C)=O)COC(CCCCCCCCCCCCC(CC)C)=O is A 1,2-diacyl-sn-glycero-3-phospho-(1'-sn-glycerol)(1-) in which the phosphatidyl acyl groups at positions 1 and 2 are specified as 14-methyl-hexadecanoyl and 12-methyl-tetradecanoyl respectively. It is also related to or classified as 1,2-diacyl-sn-glycero-3-phospho-(1'-sn-glycerol)(1-)  .
The molecule C1(=CC(=CC(=C1)OC)C)OC C1(=CC(=CC(=C1)OC)C)OC is A member of the class of toluenes that is toluene in which the hydrogens at positions 3 and 5 have been replaced by methoxy groups. It is the major scent compound of many rose varieties. It has the role of fragrance . It has the role of plant metabolite . It is also related to or classified as toluenes , methoxybenzenes .
The molecule Oc1ccc(Br)cc1Cl Oc1ccc(Br)cc1Cl is A halophenol that is phenol in which the hydrogens at positions 2 and 4 have been replaced by chlorine and bromine, respectively. It is also related to or classified as organobromine compound  . It is also related to or classified as halophenol  . It is also related to or classified as monochlorobenzenes .
The molecule C=1(C[C@@]2([C@H](C(CC2)=C(C)C)CCC1)C)C C=1(C[C@@]2([C@H](C(CC2)=C(C)C)CCC1)C)C is sesquiterpene from T. versicolor. It is also related to or classified as organic molecular entity .
The molecule CNCCC1=CNC2=C1C=C(C=C2)OC is a tryptamine derivative hahing a methoxy group at position 5 of the indole portion and a methyl substituent on the side-chain nitrogen. It derives from a serotonin.
The molecule C[Cd]C C[Cd]C is an organocadmium compound that is cadmium substituted by two methyl groups. It has the role of NMR chemical shift reference compound . It is also related to or classified as organocadmium compound .
The molecule OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC is 4Z,7Z,10Z,13Z,16Z,19Z,22Z,25Z-octacosaoctaenoic acid. It is also related to or classified as very long-chain fatty acid  .
The molecule O1[C@@H]([C@H]([C@H]([C@@H]1N2C(=CN=C2)N)O)O)COP(=O)(O)O O1[C@@H]([C@H]([C@H]([C@@H]1N2C(=CN=C2)N)O)O)COP(=O)(O)O is A 1-(phosphoribosyl)imidazole that is 5-aminoimidazole in which the proton at position 1 has been replaced by a 5-phospho-beta-D-ribofuranosyl group. It has the role of bacterial metabolite . It is a conjugate acid of 5-amino-1-(5-phosphonato-beta-D-ribosyl)imidazol-3-ium . It is also related to or classified as aminoimidazole , 1-(phosphoribosyl)imidazole .
The molecule S(=O)(=O)(NC1=NOC(=C1)CO)C2=CC=C(N)C=C2 S(=O)(=O)(NC1=NOC(=C1)CO)C2=CC=C(N)C=C2 is 5-Hydroxysulfamethoxazole.  It is also related to or classified as sulfonamide  . It is also related to or classified as benzenes .
The molecule C(CCCC)(=O)C1=C(C(=C(C(=C1O)Cl)OC)Cl)O C(CCCC)(=O)C1=C(C(=C(C(=C1O)Cl)OC)Cl)O is A differentiation-inducing factor that is pentaphenone bearing two chloro substituents at positions 3 and 5, two hydroxy substituents at positions 2 and 6 as well as a single methoxy substituent at position 4. A secreted, chlorinated molecule that controls cell fate during development of Dictyostelium cells. It has the role of signalling molecule . It has the role of eukaryotic metabolite . It is also related to or classified as dichlorobenzene  . It is also related to or classified as monomethoxybenzene , resorcinols , differentiation-inducing factor .
The molecule CC(=O)O.C1C[C@H](N(C1)C(=O)[C@@H]2CSSCCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N2)CC(=O)N)CCC(=O)N)CC3=CC=CC=C3)CC4=CC=C(C=C4)O)C(=O)N[C@H](CCCN=C(N)N)C(=O)NCC(=O)N.O.O.O is the trihydrate of the acetic acid salt of desmopressin. An antidiuretic, it increases urine concentration and decreases urine production, and is used to prevent and control excessive thirst, urination, and dehydration caused by injury, surgery, and certain medical conditions. It is also used in the diagnosis and treatment of cranial diabetes insipidus and in tests of renal function. It contains a desmopressin acetate (anhydrous).
The molecule O1C[C@]([C@H](C1=O)O)(O)CO O1C[C@]([C@H](C1=O)O)(O)CO is D-apionolactone. Its functional parent is D-apiofuranose . It is also related to or classified as gamma-lactone  .
The molecule COc1ccc(cc1O)[C@@H]1CC(=O)c2c(O)cc([O-])cc2O1 COc1ccc(cc1O)[C@@H]1CC(=O)c2c(O)cc([O-])cc2O1 is A flavonoid oxoanion that is the conjugate base of hesperetin arising from selective deprtotonation of the 7-hydroxy group. It is also related to or classified as flavonoid oxoanion .
The molecule NC(=[NH2+])N[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](NC(N)=[NH2+])[C@@H]1O NC(=[NH2+])N[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](NC(N)=[NH2+])[C@@H]1O is A guanidinium ion obtained by protonation of both guanidino groups of streptidine; major species at pH 7.3. It is a conjugate acid of streptidine . It is also related to or classified as guanidinium ion  .
The molecule CC1=CC(=O)C(C1(C)C)CC(=O)O is a 4-oxo monocarboxylic acid that is acetic acid in which one of the methyl hydrogens is substituted by a 2,2,3-trimethyl-5-oxocyclopent-3-en-1-yl group. It is a 4-oxo monocarboxylic acid and a cyclic ketone. It derives from an acetic acid. It is a conjugate acid of a (2,2,3-trimethyl-5-oxocyclopent-3-en-1-yl)acetate.
The molecule CC(O)=CC(O)=O CC(O)=CC(O)=O is 3-hydroxybut-2-enoic acid. It is also related to or classified as 3-hydroxy monocarboxylic acid , alpha,beta-unsaturated monocarboxylic acid .
The molecule O(C1=CC=C(COC=O)C=C1)C O(C1=CC=C(COC=O)C=C1)C is 4-Methoxybenzyl formate. Its functional parent is benzyl alcohol . It is also related to or classified as carboxylic ester  .
The molecule [C@@H]1([C@@](OC(C(O)=O)=C[C@@H]1O)([C@@H]([C@@H](CNC(CCCC(=O)O)=O)O)O)[H])NC(C)=O [C@@H]1([C@@](OC(C(O)=O)=C[C@@H]1O)([C@@H]([C@@H](CNC(CCCC(=O)O)=O)O)O)[H])NC(C)=O is n-Acetylneuraminic acid reduced across the 2,3-bond with loss of the hydroxy group at C-2 and in which the 9-hydroxy group is substituted by a glutaramido group. It has the role of hapten . It is also related to or classified as secondary carboxamide  . It is also related to or classified as N-acetylneuraminic acids , acetamides .
The molecule S1C(C1)CCCC#N S1C(C1)CCCC#N is Thiiranebutanenitrile. It is also related to or classified as saturated organic heteromonocyclic parent , organosulfur heterocyclic compound .
The molecule C(N)(=O)[C@@H](O)C1=CC=CC=C1 C(N)(=O)[C@@H](O)C1=CC=CC=C1 is A mandelamide in which the stereocentre at position 2 has S-configuration. It is also related to or classified as mandelamide  .
The molecule C1CN(CCN1CCCC2=CC=CC=C2)CCOC(C3=CC=CC=C3)C4=CC=CC=C4 is an N-alkylpiperazine that consists of piperazine bearing 2-(benzhydryloxy)ethyl and 3-phenylpropyl groups at positions 1 and 4 respectively. Potent and selective inhibitor of dopamine uptake (KD = 5.5 nM in rat striatal membranes). It has a role as a dopamine uptake inhibitor. It is a N-alkylpiperazine, an ether and a tertiary amino compound. It is a conjugate base of a 1-[2-(benzhydryloxy)ethyl]-4-(3-phenylpropyl)piperazinediium(2+).
The molecule C1CCC2CCCCC2C1 C1CCC2CCCCC2C1 is an ortho-fused bicyclic hydrocarbon that is the decahydro- derivative of naphthalene. It has the role of solvent . It is also related to or classified as ortho-fused bicyclic hydrocarbon .
The molecule O1C[C@]([C@H](C1O)O)(O)CO O1C[C@]([C@H](C1O)O)(O)CO is the furanose form of D-apiose. It is also related to or classified as carbohydrate  .
The molecule O1C(C(=O)NCC)=CC=C1 O1C(C(=O)NCC)=CC=C1 is N-ethyl-2-Furancarboxamide. It is also related to or classified as heteroarene  . It is also related to or classified as aromatic amide .
The molecule CCCCC[C@@H](/C=C/C=C\\C/C=C\\C/C=C\\CCCC(=O)OC(CO)CO)OO is a 2-monoglyceride obtained by formal condensation of the carboxy group of 15(S)-HPETE with the 2-hydroxy group of glycerol. It is a 2-monoglyceride and a lipid hydroperoxide. It derives from a 15(S)-HPETE.
The molecule CCCSP(=O)(OCC)Oc1cnn(c1)-c1ccc(Cl)cc1 CCCSP(=O)(OCC)Oc1cnn(c1)-c1ccc(Cl)cc1 is pyraclofos. 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 organochlorine insecticide , organothiophosphate insecticide , pyrazoles , organosulfur compound , organic thiophosphate , monochlorobenzenes .
The molecule C[C@]12CC[C@H]3[C@@H](CCc4c(O)c(O)ccc34)[C@@H]1CCC2=O C[C@]12CC[C@H]3[C@@H](CCc4c(O)c(O)ccc34)[C@@H]1CCC2=O is A 4-hydroxy steroid that is estrone substituted by a hydroxy group at position 4. It has the role of estrogen . It has the role of carcinogenic agent . It has the role of human urinary metabolite . Its functional parent is estrone . It is also related to or classified as phenolic steroid  . It is also related to or classified as 17-oxo steroid  . It is also related to or classified as catechols  . It is also related to or classified as 4-hydroxy steroid , 3-hydroxy steroid .
The molecule OC(=O)CCC#CCC#CCC#CCC#CCCCCCCCC OC(=O)CCC#CCC#CCC#CCC#CCCCCCCCC is 4,7,10,13-Docosatetraynoic acid. It is also related to or classified as very long-chain fatty acid  .
The molecule C=1(C=C(C(=C(C1)I)OC=2C=CC(=CC2)O)I)CCC(O)=O C=1(C=C(C(=C(C1)I)OC=2C=CC(=CC2)O)I)CCC(O)=O is A monocarboxylic acid that is (4-hydroxy-3,5-diiodophenyl)propanoic acid in which the phenolic hydroxy group has been replaced by a 4-hydroxyphenyl group. An ionotropic analogue of L-thyroxine.  It is also related to or classified as phenols  .  It is also related to or classified as organoiodine compound  . It is also related to or classified as monocarboxylic acid , aromatic ether .
The molecule C=1(C=CC(=CC1S(C)(=O)=O)C(F)(F)F)C(C(C(C2CC2)=O)C#N)=O C=1(C=CC(=CC1S(C)(=O)=O)C(F)(F)F)C(C(C(C2CC2)=O)C#N)=O is A beta-diketone and nitrile resulting from the the degradation of the isoxazole ring of isoxaflutole. The active herbicide of the proherbicide isoxaflutole. It has the role of herbicide . It has the role of agrochemical . It has the role of EC 1.13.11.27 (4-hydroxyphenylpyruvate dioxygenase) inhibitor . It is also related to or classified as nitrile  . It is also related to or classified as sulfone  . It is also related to or classified as cyclopropanes , beta-diketone , aromatic ketone , (trifluoromethyl)benzenes .