anonymous041/ChEBI-Augmented huggingface dataset:
The molecule CN1C(=O)CCC1(C)C CN1C(=O)CCC1(C)C is A member of the class of pyrrolidine-2-ones that is pyrrolidine-2-one in which the hydrogen attached to the nitrogen and both of the hydrogens at position 5 are replaced by methyl groups.  It is also related to or classified as pyrrolidin-2-ones  . It is also related to or classified as N-alkylpyrrolidine .
The molecule CN1C(=O)C=C(N(C1=O)CC2=CC=CC=C2C#N)N3CCC[C@H](C3)N is a piperidine that is 3-methyl-2,4-dioxo-3,4-dihydropyrimidine carrying additional 2-cyanobenzyl and 3-aminopiperidin-1-yl groups at positions 1 and 2 respectively (the R-enantiomer). Used in the form of its benzoate salt for treatment of type 2 diabetes. It has a role as an EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor and a hypoglycemic agent. It is a nitrile, a member of piperidines, a member of pyrimidines and a primary amino compound. It is a conjugate base of an alogliptin(1+).
The molecule C(C(C(S(O)(=O)=O)(F)F)(F)F)(C(F)(F)F)(F)F C(C(C(S(O)(=O)=O)(F)F)(F)F)(C(F)(F)F)(F)F is A perfluoroalkanesulfonic acid that is butane-1-sulfonic acid in which all of the hydrogens of the butyl group have been replaced by fluorines. It has the role of surfactant . It is also related to or classified as perfluoroalkanesulfonic acid .
The molecule CCOC(=O)[C@]1(C)OC(=O)N(C1=O)c1cc(Cl)cc(Cl)c1 CCOC(=O)[C@]1(C)OC(=O)N(C1=O)c1cc(Cl)cc(Cl)c1 is an ethyl 3-(3,5-dichlorophenyl)-5-methyl-2,4-dioxo-1,3-oxazolidine-5-carboxylate that is the (R)-enantiomer of chlozolinate. It is also related to or classified as ethyl 3-(3,5-dichlorophenyl)-5-methyl-2,4-dioxo-1,3-oxazolidine-5-carboxylate  .
The molecule C[C@]12CC[C@@H]([C@]([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4[C@@H](C(CC5)(C)C)O)C(=O)O)C)C)(C)CO)O is a pentacyclic triterpenoid that is olean-12-en-28-oic acid substituted by hydroxy groups at positions 3, 19 and 24 (the 3beta,19alpha stereoisomer). It has been isolated from the roots of Rubia yunnanensis. It has a role as a plant metabolite. It is a sapogenin, a hydroxy monocarboxylic acid and a pentacyclic triterpenoid. It derives from an oleanolic acid. It derives from a hydride of an oleanane.
The molecule CCCCC[C@@H](/C=C/C=C\\C/C=C\\C/C=C\\CCCC(=O)[O-])OO is conjugate base of 15(S)-HPETE arising from deprotonation of the carboxylic acid function. It has a role as a human metabolite. It is a conjugate base of a 15(S)-HPETE. It is an enantiomer of a 15(R)-HPETE(1-).
The molecule CC(=O)N[C@@H](CCC[C@H](N)C([O-])=O)C([O-])=O CC(=O)N[C@@H](CCC[C@H](N)C([O-])=O)C([O-])=O is A dicarboxylic acid dianion resulting from removal of a proton from both carboxy groups of N-acetyl-LL-2,6-diaminopimelic acid. Its functional parent is pimelate(2-) . It is also related to or classified as dicarboxylic acid dianion  .
The molecule [H]C(CCC([O-])=O)=C([H])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 [H]C(CCC([O-])=O)=C([H])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 acyl-CoA oxoanion arising from deprotonation of the phosphate, diphosphate and carboxylic acid functions of 2,3-didehydroadipoyl-CoA. It is also related to or classified as acyl-CoA oxoanion .
The molecule CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC1=C2C(=CC(=C1)O)C(=C(C)C)C(=O)O2)/C)/C)/C)C is a member of the class of 1-benzofurans that is 1-benzofuran-2(3H)-one substituted by a hydroxy group at position 5, a propan-2-ylidene group at position 3 and a (2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-yl group at position 7. Isolated from Rhus chinensis, it exhibits anti-HIV activity. It has a role as a metabolite and an anti-HIV-1 agent. It is a member of 1-benzofurans, a gamma-lactone and a member of phenols.
The molecule [NH3+][C@H](C([O-])=O)CC=1N=CN(C1)C [NH3+][C@H](C([O-])=O)CC=1N=CN(C1)C is A L-histidine zwitterion in which the methyl group is at N(tele)-position; major microspecies at pH 7.3. It is also related to or classified as zwitterion  .
The molecule C[C@H]([NH3+])C(=O)N[C@@H](CCCC[NH3+])C([O-])=O C[C@H]([NH3+])C(=O)N[C@@H](CCCC[NH3+])C([O-])=O is A peptide cation obtained by deprotonation of the carboxy terminus and protonation of the side-chain amino groups and the amino terminus of Ala-Lys; major species at pH 7.3. It is a conjugate acid of Ala-Lys . It is also related to or classified as peptide cation .
The molecule COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C(=C(C=C3O2)OC)O)O)OC)O is a trimethoxyflavone that is the 3,7,3'-trimethyl ether derivative of quercetagetin. It has a role as a plant metabolite, an antineoplastic agent and an antiviral agent. It is a trihydroxyflavone and a trimethoxyflavone. It derives from a quercetagetin.
The molecule COC1=CC=CC=C1C#CC2=CC=C(C=C2)[C@@H]3[C@H]4CN(CCCCN4[C@H]3CO)C(=O)C5CCC5 COC1=CC=CC=C1C#CC2=CC=C(C=C2)[C@@H]3[C@H]4CN(CCCCN4[C@H]3CO)C(=O)C5CCC5 is cyclobutyl-[(8S,9R,10R)-10-(hydroxymethyl)-9-[4-[2-(2-methoxyphenyl)ethynyl]phenyl]-1,6-diazabicyclo[6.2.0]decan-6-yl]methanone. It is also related to or classified as benzenes , ring assembly , azetidines .
The molecule CC(C)(C)C(C(=O)NC(C)(C)C1=CC=CC=C1)Br is a monocarboxylic acid amide having a 2-phenylpropan-2-yl substituent attached to the amide nitrogen and a 1-bromo-2,2-dimethylpropyl group attached to the carbonyl carbon. It has a role as a herbicide. It is a monocarboxylic acid amide and an organobromine compound.
The molecule [H]C12C(=O)CC3([H])C4([H])CCC([H])(C(C)C(O)C(O)C(C)C(C)C)C4(C)CCC3([H])C2(C)CC(O)C(O)C1 [H]C12C(=O)CC3([H])C4([H])CCC([H])(C(C)C(O)C(O)C(C)C(C)C)C4(C)CCC3([H])C2(C)CC(O)C(O)C1 is A brassinosteroid that is the C-24 epimer of castasterone. It is also related to or classified as brassinosteroid .
The molecule CC1=C(C(=NN1C)C)C(=O)N(C2=CC(=C(C=C2)C(C(F)(F)F)(C(F)(F)F)OC)CC(C)C)C(=O)C(C)C is a dicarboximide resulting from the formal condensation of the amino group of 4-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)-3-isobutylaniline with isobutyric acid and with 1,3,5-trimethylpyrazole-4-carboxylic acid. Developed by Nihon Nohyaku Co. Ltd. (Japan), it is a pro-acaricide, with its metabolite (the -NH form lacking the isubutanoyl group) exhibiting high activity on mitochondrial complex II. It has been reported to be very effective in controlling spider mites (Tetranychus, Oligonychus, and Panonychus species) during all life stages. It is a member of pyrazoles, a dicarboximide, an organofluorine acaricide and an ether.
The molecule CN[C@@H]1[C@@H](O)[C@H](OC[C@]1(C)O)O[C@H]1[C@H](N)C[C@H](N)[C@@H](O[C@H]2O[C@H](C(C)O)[C@@H](O)[C@H](O)[C@H]2N)[C@@H]1O CN[C@@H]1[C@@H](O)[C@H](OC[C@]1(C)O)O[C@H]1[C@H](N)C[C@H](N)[C@@H](O[C@H]2O[C@H](C(C)O)[C@@H](O)[C@H](O)[C@H]2N)[C@@H]1O is an aminoglycoside antibiotic produced by Micromonospora rhodorangea. It blocks polypeptide synthesis  by inhibiting the elongation step in both prokaryotic and eukaryotic cells. It has the role of antiinfective agent . It has the role of antiparasitic agent . It has the role of coccidiostat . It has the role of antiprotozoal drug . It is also related to or classified as aminoglycoside antibiotic .
The molecule C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H](C(O2)O)O)O)O)O)O)O is a glycosylglucose consisting of alpha-L-fucopyranose and D-glucopyranose residues joined in sequence by a (1->6) glycosidic bond. It derives from a D-glucopyranose and an alpha-L-fucose.
The molecule C(C(C(S(O)(=O)=O)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)(F)F C(C(C(S(O)(=O)=O)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)(F)F is A perfluoroalkanesulfonic acid that is hexane-1-sulfonic acid in which all thirteen of the hydrogens that are attached to carbons have been replaced by fluorines. It is also related to or classified as perfluoroalkanesulfonic acid .
The molecule CCCCCCCCCCCCCCCCCCCCCCCC(CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)([O-])[O-])O)O is an acyl-CoA(4-) arising from deprotonation of the phosphate and diphosphate OH groups of 3-hydroxyhexacosanoyl-CoA; major species at pH 7.3. It is a 3-hydroxy fatty acyl-CoA(4-) and an 11,12-saturated fatty acyl-CoA(4-). It is a conjugate base of a 3-hydroxyhexacosanoyl-CoA.
The molecule CC(C1CC(OC1=O)(C)C)SC#N is a butan-4-olide having a 1-thiocyanatoethyl group at the 3-position and two methyl substituents at the 5-position. It is a butan-4-olide and a member of thiocyanates.
The molecule CCOS(=O)(=O)C is a methanesulfonate ester resulting from the formal condensation of methanesulfonic acid with ethanol. It has a role as an alkylating agent, an antineoplastic agent, a carcinogenic agent, a genotoxin, a mutagen and a teratogenic agent.
The molecule C(CCCCCCCCCC)CCCCC C(CCCCCCCCCC)CCCCC is A straight-chain alkane with 16 carbon atoms. It is a component of essential oil isolated from long pepper. It has the role of volatile oil component . It has the role of non-polar solvent . It has the role of plant metabolite . It is also related to or classified as long-chain alkane  .
The molecule C1=CC=C(C=C1)C[C@@H](C(=O)O)NC(=O)[C@H](CCCN=C(N)N)N is a dipeptide formed from L-arginine and L-phenylalanine residues. It exhibits vasorelaxant activity. It has a role as a metabolite and a vasodilator agent.
The molecule Cl[Cd--](Cl)(Cl)Cl Cl[Cd--](Cl)(Cl)Cl is tetrachlorocadmiate(2-). It is also related to or classified as cadmium coordination entity , perchlorometallate anion .
The molecule CC1C23C4=C([C@@](C(=N4)CC5=C(C(=C([N-]5)/C=C\\6/[C@H]([C@](C(=N6)/C=C(\\[N-]2)/[C@H]([C@@]3(CC(=O)O1)C)CCC(=O)[O-])(C)CC(=O)[O-])CCC(=O)[O-])CC(=O)[O-])CCC(=O)[O-])(C)CCC(=O)[O-])CC(=O)[O-].[Co] is a precorrin carboxylic acid anion obtained by deprotonation of the carboxy groups of cobalt-precorrin-4; major species at pH 7.3. It is a conjugate base of a cobalt-precorrin-4.
The molecule CCCCCCCCCCCCC([O-])=O CCCCCCCCCCCCC([O-])=O is A long-chain fatty acid anion resulting from the removal of a proton from the carboxy group of tridecanoic acid. It is also related to or classified as long-chain fatty acid anion  . It is also related to or classified as fatty acid anion 13:0  .
The molecule C=CC#C C=CC#C is butenyne.    It is also related to or classified as terminal acetylenic compound  . It is also related to or classified as acyclic olefin , acyclic acetylene , enyne .
The molecule NC(=O)CC(O)=O NC(=O)CC(O)=O is malonamic acid. It is a conjugate acid of malonamate . It is also related to or classified as beta-alanine derivative .
The molecule C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](OC([C@@H]([C@H]3O)O)O)CO)CO)O)O)O is a trisaccharide that is lactose in which the hydroxy group at position 4 of the galactose ring has been converted into its alpha-L-fucopyranosyl derivative. It derives from a lactose.
The molecule OC[C@H]1O[C@H](OC[C@H]2O[C@H](O)[C@H](O)[C@@H](O)[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]2O)[C@@H](O)[C@@H](O)[C@@H]1O is A alpha-D-Manp-(1->6)-D-Galp in which the carbon bearing the anomeric hydroxy group has alpha configuration. It has the role of mouse metabolite . It has the role of plant metabolite . It is also related to or classified as alpha-D-Manp-(1->6)-D-Galp  .
The molecule CC(C/C=C/C(=C/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C=C(/CCCC(C)(O)C)\C)\C)\C)/C)/C)/C)(O)C CC(C/C=C/C(=C/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C=C(/CCCC(C)(O)C)\C)\C)\C)/C)/C)/C)(O)C is A carotenol that is 3,4-didehydrolycopene carrying two hydroxy substituents at positions 1 and 1'. It has the role of marine metabolite .  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 carotenol .
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(=O)/C=C/CCCCCC/C=C/C)=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(=O)/C=C/CCCCCC/C=C/C)=O)=O)O)C)(=O)[O-])(=O)[O-])[C@H]([C@H]1O)OP([O-])([O-])=O is major species at pH 7.3. It is also related to or classified as 4,5-saturated-trans-2-enoyl-CoA(4-)  . It is also related to or classified as medium-chain fatty acyl-CoA(4-)  .
The molecule CC1=CC=C(C=C1)S(=O)(=O)O.C1CN(C[C@@H]1N)C2=C(C=C3C(=O)C(=CN(C3=N2)C4=C(C=C(C=C4)F)F)C(=O)O)F is an organosulfonate salt obtained by combining equimolar amounts of (R)-tosufloxacin and 4-toluenesulfonic acid. It is an organosulfonate salt and a (R)-tosufloxacin(1+). It is an enantiomer of a (S)-tosufloxacin tosylate.
The molecule CCCCCCCC/C=C\\CCCCCCCC(=O)N[C@@H](CCC(=O)N)C(=O)O is an L-glutamine derivative resulting from the formal condensation of the carboxy group of oleic acid with the amino group of L-glutamine. It is a L-glutamine derivative and a N-(fatty acyl)-L-alpha-amino acid. It derives from an oleic acid. It is a conjugate acid of a N-oleoyl-L-glutaminate.
The molecule CC(C1=CC=C(C=C1)CC2CCCC2=O)C(=O)[O-].[Na+] is an organic sodium salt having loxoprofen(1-) as the counterion. The parent acid, loxoprofen, is a prodrug that is rapidly converted to its active trans-alcohol metabolite following oral administration. It has a role as a non-steroidal anti-inflammatory drug, a non-narcotic analgesic, an EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor and an antipyretic. It contains a loxoprofen(1-).
The molecule C1C2=C(C3=CC=CC=C3NC1=O)NC4=CC=CC=C24 is an indolobenzazepine that is 5,6,7,12-tetrahydroindolo[3,2-d][1]benzazepine carrying an oxo substituent at position 6. It has a role as an EC 2.7.11.22 (cyclin-dependent kinase) inhibitor and an EC 2.7.11.26 (tau-protein kinase) inhibitor. It is a lactam and an indolobenzazepine.
The molecule C=1(/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C=C(/CCCC(C)(O)C)\C)\C)\C)/C)/C)C(C[C@@H](CC1C)O)(C)C C=1(/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C=C(/CCCC(C)(O)C)\C)\C)\C)/C)/C)C(C[C@@H](CC1C)O)(C)C is A carotenol that is gamma-carotene carrying two hydroxy substituents at positions 3 and 1'. It has the role of marine metabolite .  It is also related to or classified as diol  . It is also related to or classified as carotenol .
The molecule Oc1nc2cc(Cl)ccc2o1 Oc1nc2cc(Cl)ccc2o1 is A member of the class of  1,3-benzoxazoles that is 1,3-benzoxazol-2-ol in which the hydrogen atom at position 5 is substituted by chlorine. A centrally acting muscle relaxant with sedative properties, it is used for the symptomatic treatment of painful muscle spasm. It has the role of sedative . It has the role of muscle relaxant . It is also related to or classified as organochlorine compound  . It is also related to or classified as 1,3-benzoxazoles , heteroaryl hydroxy compound .
The molecule C1=CC=C(C=C1)OC2=CC=CC(=C2)C(=O)O is a phenoxybenzoic acid in which the phenoxy group is meta to the carboxy group. It is a metabolite of pyrethroid insecticides. It has a role as a human xenobiotic metabolite and a marine xenobiotic metabolite.
The molecule C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC=CC4=CC=CC=C43)[C@H](C)CO)C)CN(C)CC5=CC=C(C=C5)C(F)(F)F C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC=CC4=CC=CC=C43)[C@H](C)CO)C)CN(C)CC5=CC=C(C=C5)C(F)(F)F is 1-[(3S,9R,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-(1-naphthalenyl)urea. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CCCCCCCCCCCCCCCCCCCCC(C(=O)N[C@@H](COC1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)[C@@H](/C=C/CCCCCCCCCCCCC)O)O is an N-acyl-D-galactosylsphingosine in which the ceramide N-acyl group is specified as 2-hydroxybehenoyl (2-hydroxydocosanoyl). It derives from a 2-hydroxybehenic acid.
The molecule C(\C=1N=CN(C1)C)=C/C(=O)[O-] C(\C=1N=CN(C1)C)=C/C(=O)[O-] is A urocanate derivative obtained by deprotonation of the carboxy group of   N(tele)-methyl-trans-urocanic acid; major species at pH 7.3. It is also related to or classified as urocanate  .
The molecule CC(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@@H](O)C(=O)NCCC(=O)NCCSSCCNC(=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 CC(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@@H](O)C(=O)NCCC(=O)NCCSSCCNC(=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 organophosphate oxoanion arising from deprotonation of the phosphate and diphosphate OH groups of CoA-disulfide; major species at pH 7.3. It is also related to or classified as organophosphate oxoanion .
The molecule COC1=CC(CC(=O)C(O)=O)=CC=C1O COC1=CC(CC(=O)C(O)=O)=CC=C1O is A 2-oxo monocarboxylic acid that is  3,4-dihydroxyphenylpyruvic acid in which the hydroxy group at position 3 is substituted by a methoxy group. It has the role of human urinary metabolite . Its functional parent is 3,4-dihydroxyphenylpyruvic acid . It is a conjugate acid of vanilpyruvate .  It is also related to or classified as phenols  . It is also related to or classified as 2-oxo monocarboxylic acid  . It is also related to or classified as monomethoxybenzene .
The molecule OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O[C@@H]4[C@@H](CO)OC(O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O[C@@H]4[C@@H](CO)OC(O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O is A glucotetrose comprised of four D-glucose residues connected by beta(1->4) linkages. It is also related to or classified as glucotetraose .
The molecule C=C(C(=O)[O-])Cl is a monocarboxylic acid anion that is the conjugate base of 2-chloroacrylic acid obtained by deprotonation of the carboxy group. It has a role as a nitric oxide synthase activator. It is a conjugate base of a 2-chloroacrylic acid.
The molecule CC(=O)/C=C/C=C(/C(=O)O)\\[O-] is a 2-hydroxy-6-oxo-2,4-heptadienoate which has 2Z,4E configuration. Obtained by deprotonation of the carboxy group of (2Z,4E)-2-hydroxy-6-oxohepta-2,4-dienoic acid, it is the major species at pH 7.3. It is a conjugate base of a (2Z,4E)-2-hydroxy-6-oxohepta-2,4-dienoic acid.
The molecule OC[C@H]1NC[C@H](O)[C@@H](O)[C@@H]1O OC[C@H]1NC[C@H](O)[C@@H](O)[C@@H]1O is an optically active form of 2-(hydroxymethyl)piperidine-3,4,5-triol having 2R,3R,4R,5S-configuration. It has the role of hypoglycemic agent . It has the role of hepatoprotective agent . It has the role of anti-HIV agent . It has the role of EC 3.2.1.20 (alpha-glucosidase) inhibitor . It has the role of anti-obesity agent . It has the role of plant metabolite . It has the role of bacterial metabolite . It is also related to or classified as piperidine alkaloid , 2-(hydroxymethyl)piperidine-3,4,5-triol .
The molecule NCC(=O)NCC(=O)NCC(O)=O NCC(=O)NCC(=O)NCC(O)=O is A tripeptide in which three glycine units are linked via peptide bonds in a linear sequence. It is also related to or classified as tripeptide  .
The molecule CCCCCC(C)CCC=C is an alkene that is dec-1-ene substituted by a methyl group at position 5. Metabolite observed in cancer metabolism. It has a role as a human metabolite.
The molecule Nc1ccc2C(=O)NC(=O)c3cccc1c23 Nc1ccc2C(=O)NC(=O)c3cccc1c23 is 4-amino-1,8-naphthalimide. It is also related to or classified as dicarboximide  . It is also related to or classified as benzoisoquinoline .
The molecule C1=CC=C(C=C1)CCC2=CC(=O)C3=CC=CC=C3O2 is a member of the class of chromones that is chromone which is substituted by a 2-phenylethyl group at position 2. It is found in agarwood, a fragrant resinous heartwood obtained from certain trees in the genus Aquilaria. It has a role as a plant metabolite. It is a member of chromones and a member of benzenes. It derives from a chromone.
The molecule CCCCCCCCCCCCC(O)=O CCCCCCCCCCCCC(O)=O is A C13 straight-chain saturated fatty acid. It has the role of plant metabolite . It is a conjugate acid of tridecanoate . It is also related to or classified as long-chain fatty acid  . It is also related to or classified as straight-chain saturated fatty acid .
The molecule [H][C@]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(C)=O)O[C@@H]1[C@H]2CO[C@H](O2)[C@H](NC(C)=O)[C@H]1O[C@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](CCC(=O)N[C@@H](CCC[C@@H](N)C(O)=O)C(=O)N[C@H](C)C(O)=O)C(O)=O [H][C@]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(C)=O)O[C@@H]1[C@H]2CO[C@H](O2)[C@H](NC(C)=O)[C@H]1O[C@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](CCC(=O)N[C@@H](CCC[C@@H](N)C(O)=O)C(=O)N[C@H](C)C(O)=O)C(O)=O is tat-BP. It is a conjugate acid of tat-BP(2-) . It is also related to or classified as N-acetyl-beta-D-glycosaminyl glycopeptide .
The molecule c1cc[n+]2ccccc2c1 c1cc[n+]2ccccc2c1 is quinolizinium. It is also related to or classified as mancude organic heterobicyclic parent , quinolizines , polycyclic heteroarene .
The molecule CCCCCCCCCCCCCCCCCCCCCCCC[C@H]([C@@H](CCCCCCCCCCCCCCCCCCCCCC1CC1CCCCCCCCCCC2CC2CCCCCCCCCCCCCCCCCC)O)C(=O)O is a C82 mycolic acid having a C56 meromycolic chain with two cis cyclopropyl functions and a saturated C26 alpha-branch. It is produced by Mycobacterium tuberculosis H37Ra. It has a role as a bacterial metabolite. It is a mycolic acid and a hydroxy fatty acid. It is a conjugate acid of a (2R)-2-[(1R)-1-hydroxy-22-{2-[10-(2-octadecylcyclopropyl)decyl]cyclopropyl}docosyl]hexacosanoate.
The molecule CC(C)(O)CCSCCNC(=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 CC(C)(O)CCSCCNC(=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 S-alkyl-CoA having 3-hydroxy-3-methylbutyl as the S-alkyl component. Its functional parent is coenzyme A . It is also related to or classified as S-alkyl-CoA  .
The molecule c1ccc2nc3ccccc3nc2c1 c1ccc2nc3ccccc3nc2c1 is an azaarene that is anthracene in which the carbon atoms at positions 9 and 10 are replaced by nitrogen atoms.  It is also related to or classified as heteranthrene  . It is also related to or classified as mancude organic heterotricyclic parent , polycyclic heteroarene , phenazines , azaarene .
The molecule C1[C@@H]2[C@H]([C@H]([C@@H](O2)N3C4=NC=NC(=C4C=N3)N)O)OP(=O)(O1)O is a nucleoside 3',5'-cyclic phosphate that is cAMP in which the aza methine (C-H) group at positions 7 and 8 on the purine fragment are transposed. It is a nucleoside 3',5'-cyclic phosphate and a pyrazolopyrimidine.
The molecule CN[C@@H](Cc1c[nH]cn1)C(O)=O CN[C@@H](Cc1c[nH]cn1)C(O)=O is A N(alpha)-methyl-L-histidines  that is L-histidine bearing a single methyl substituent at the N(alpha)-position. It is also related to or classified as N(alpha)-methyl-L-histidines .
The molecule C[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C=C4)O)O)O)O)O is a quercetin O-glycoside that is quercetin attached to a beta-D-fucopyranosyl moiety at position 3 via a glycosidic linkage. It has a role as a metabolite. It is a beta-D-fucoside, a monosaccharide derivative, a tetrahydroxyflavone and a quercetin O-glycoside. It derives from a beta-D-fucose.
The molecule C1=CC=C2C(=C1)C(=O)NC(C(=O)N2)C(=O)O is an organic heterobicyclic compound that is 2,3,4,5-tetrahydro-1H-1,4-benzodiazepine which has been substituted by a carboxy group at position 3 and by oxo groups at positions 2 and 5. It is a 1,4-benzodiazepinone, a monocarboxylic acid, an organic heterobicyclic compound and a lactam.
The molecule C=1(C=2NC3=C(C2C=CN1)C=C(C(=C3)O)CC=C(C)C)C C=1(C=2NC3=C(C2C=CN1)C=C(C(=C3)O)CC=C(C)C)C is A 9H-beta-carboline carrying a methyl substituent at C-1, a dimethylallyl at C-6 and a hydroxy group at C-7; major microspecies at pH 7.3. Its functional parent is harmol . It is also related to or classified as indole alkaloid , harmala alkaloid .
The molecule CC(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-])[C@H](C(=O)NCCC(=O)NCCSC(=O)/C=C/C[N+](C)(C)C)O is an acyl-CoA oxoanion obtained via deprotonation of the phosphate and diphosphate OH groups of (E)-4-(trimethylammonio)but-2-enoyl-CoA; major species at pH 7.3. It is a conjugate base of an (E)-4-(trimethylammonio)but-2-enoyl-CoA.