anonymous041/ChEBI-Augmented huggingface dataset:
The molecule C(CCCO)C/C=C\CC1C(C/C=C\C/C=C\CCCC(O)=O)O1 C(CCCO)C/C=C\CC1C(C/C=C\C/C=C\CCCC(O)=O)O1 is an epoxy(hydroxy)icosatrienoic acid that is (5Z,8Z,14Z)-icosatrienoic acid having the epoxide group across positions 11-12 and the hydroxy substituent located at position 20. Its functional parent is arachidonic acid . It is a conjugate acid of 11,12-epoxy-20-hydroxy-(5Z,8Z,14Z)-icosatrienoate .  It is also related to or classified as omega-hydroxy-long-chain fatty acid  . It is also related to or classified as epoxy(hydroxy)icosatrienoic acid .
The molecule C[N+]1=CC=C(C=C1)C2=CC3=C4C=C(C=C[N+]4=C(N3C=C2)N(C)C)C5=CC=[N+](C=C5)C is a pyridinium ion that is the dimethyl derivative of 6-(dimethylamino)-2,10-bis(pyridine-4-yl)imidazo[1,5-a:3,4-a']dipyridin-5-ium. It has a role as a fluorochrome.
The molecule CC(CCCCCCCCCCCC([C@@H]([NH3+])CS(=O)(=O)[O-])O)C CC(CCCCCCCCCCCC([C@@H]([NH3+])CS(=O)(=O)[O-])O)C is major microspecies at pH 7.3. It is also related to or classified as fatty amide .
The molecule OC[C@H]1OC(=O)C(O)=C1[O-] OC[C@H]1OC(=O)C(O)=C1[O-] is an organic anion that is the conjugate base of dehydro-D-arabinono-1,4-lactone, arising from selective deprotonation of the 3-hydroxy group; major species at pH 7.3. It has the role of Saccharomyces cerevisiae metabolite . It is also related to or classified as organic anion .
The molecule NC(CS)C([O-])=O NC(CS)C([O-])=O is A sulfur-containing amino-acid anion that is the conjugate base of cysteine, obtained by deprotonation of the carboxy group. It is a conjugate acid of cysteinate(2-) . It is also related to or classified as alpha-amino-acid anion , sulfur-containing amino-acid anion .
The molecule OC(=O)CNC(=O)\C=C\CCCCCCCCCC=C(Br)Br OC(=O)CNC(=O)\C=C\CCCCCCCCCC=C(Br)Br is an enamide obtained by the formal condensation of the amino group of glycine with the carboxy group of 14,14-dibromotetradeca-2,13-dienoic acid (the 2E stereoisomer). It is isolated from the marine sponge  Siliquariaspongia sp. and exhibits antibacterial properties. It has the role of metabolite . It has the role of antibacterial agent . It is also related to or classified as N-acylglycine  .   It is also related to or classified as organobromine compound  . It is also related to or classified as enamide  . It is also related to or classified as monocarboxylic acid , fatty amide .
The molecule CCOP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(N)nc1=O CCOP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(N)nc1=O is an organic triphosphate formed by condensation between the gamma-phospho group of cytidine 5'-triphosphate and ethanol. Its functional parent is ethanol . Its functional parent is CTP . It is also related to or classified as organic triphosphate .
The molecule C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C)O)CC[C@@H]4[C@@]3(COC(=O)C4)C is a 3-oxo steroid, an oxa-steroid, a 17beta-hydroxy steroid and an anabolic androgenic steroid. It has a role as an androgen and an anabolic agent.
The molecule [C@]12(O[C@@H]3[C@](O[C@@H]([C@H]3O)CO)(CO)OC1)O[C@H](CO)[C@H]([C@@H]2O)O [C@]12(O[C@@H]3[C@](O[C@@H]([C@H]3O)CO)(CO)OC1)O[C@H](CO)[C@H]([C@@H]2O)O is alpha-D-fructofuranose-beta-D-fructofuranose 2',1:2,3'-dianhydride. Its functional parent is beta-D-fructofuranose . Its functional parent is alpha-D-fructofuranose . It is also related to or classified as sugar dianhydride .
The molecule C(CCCO)C/C=C\C/C=C\CC1C(C/C=C\CCCC(O)=O)O1 C(CCCO)C/C=C\C/C=C\CC1C(C/C=C\CCCC(O)=O)O1 is an epoxy(hydroxy)icosatrienoic acid that is (5Z,11Z,14Z)-icosatrienoic acid having the epoxide group across positions 8-9 and the hydroxy substituent located at position 20. Its functional parent is arachidonic acid . It is a conjugate acid of 8,9-epoxy-20-hydroxy-(5Z,11Z,14Z)-icosatrienoate .  It is also related to or classified as omega-hydroxy-long-chain fatty acid  . It is also related to or classified as epoxy(hydroxy)icosatrienoic acid .
The molecule C([C@@H]([C@H](CO)O)O)O is the L-enantiomer of threitol. It has a role as an algal metabolite. It is an enantiomer of a D-threitol.
The molecule CCCCCCCCCCCCCCCCOCC(O)CO CCCCCCCCCCCCCCCCOCC(O)CO is an alkylglycerol that is glycerol carrying a single palmityl (hexadecyl) substituent at position 1. It is also related to or classified as alkylglycerol .
The molecule [H][C@@]1(CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)C1CC3=O)[C@H](C)C[C@H](O)\C=C(/C)C(O)=O [H][C@@]1(CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)C1CC3=O)[C@H](C)C[C@H](O)\C=C(/C)C(O)=O is A tetracyclic triterpenoid isolated from the fruiting bodies of Ganoderma hainanense. It has the role of fungal metabolite . It is a conjugate acid of hainanate A .  It is also related to or classified as 14alpha-methyl steroid  .     It is also related to or classified as 3-oxo steroid  . It is also related to or classified as 7-oxo steroid  . It is also related to or classified as lanostane sterol , tetracyclic triterpenoid , hydroxy monocarboxylic acid , dioxo monocarboxylic acid , 23-hydroxy steroid , steroid acid , alpha,beta-unsaturated monocarboxylic acid .
The molecule [H][C@@]12C[C@@H](O[C@H](C)[C@@]1([H])O[C@]1([H])O[C@@H](C)C(=O)C[C@]1([H])O2)c1ccc2C(=O)c3c(ccc4C[C@@](C)(O)CC(=O)c34)C(=O)c2c1O [H][C@@]12C[C@@H](O[C@H](C)[C@@]1([H])O[C@]1([H])O[C@@H](C)C(=O)C[C@]1([H])O2)c1ccc2C(=O)c3c(ccc4C[C@@](C)(O)CC(=O)c34)C(=O)c2c1O is an angucycline that consists of tetrangomycin linked to a deoxy sugar moiety at position 9 via a C-glycosidic bond. It is isolated from Streptomyces sp.KY002 and exhibits cytotoxicity against human lung cancer and MCF-7 human breast cancer cells. It has the role of antimicrobial agent . It has the role of antineoplastic agent . Its functional parent is tetrangomycin . It is also related to or classified as C-glycosyl compound , angucycline antibiotic .
The molecule CCOP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c1nc(N)[nH]c2=O CCOP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c1nc(N)[nH]c2=O is an organic triphosphate formed by condensation between the gamma-phospho group of guanosine 5'-triphosphate and ethanol. Its functional parent is GTP . Its functional parent is ethanol . It is also related to or classified as organic triphosphate .
The molecule CN(C)CCOP(O)(O)=O CN(C)CCOP(O)(O)=O is the N,N-dimethyl derivative of ethanolamine phosphate. It has the role of human metabolite . It is a conjugate acid of N,N-dimethylethanolamine phosphate(1-) . It is also related to or classified as phosphoethanolamine .
The molecule O1C2=C(C(O)=C(C(OC)=C2C)C)C(=O)C(OC)=C1C3=CC=C(O)C=C3 O1C2=C(C(O)=C(C(OC)=C2C)C)C(=O)C(OC)=C1C3=CC=C(O)C=C3 is 6,8-Di-C-methylkaempferol 3,7-dimethyl ether. It is also related to or classified as ether  . It is also related to or classified as flavonoids .
The molecule C=C(CC(=O)O)O is a 3-hydroxymonocarboxylic acid that is the 3-hydroxy derivative of 3-butenoic acid. It is a 3-hydroxymonocarboxylic acid and an enol. It is a tautomer of an acetoacetic acid.
The molecule C[C@@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC=C(C=C3)F)[C@H](C)CO)C)CN(C)C(=O)NC(C)C C[C@@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC=C(C=C3)F)[C@H](C)CO)C)CN(C)C(=O)NC(C)C is 1-[[(3R,9S,10S)-16-[[(4-fluoroanilino)-oxomethyl]amino]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methyl-3-propan-2-ylurea. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule COP([O-])([O-])=O COP([O-])([O-])=O is dianion of methyl phosphate arising from deprotonation of both OH groups of the phosphate. It has the role of epitope . It has the role of phosphoantigen . It is also related to or classified as organophosphate oxoanion .
The molecule C(CCCO)C/C=C\C/C=C\C/C=C\CC1C(CCCC(O)=O)O1 C(CCCO)C/C=C\C/C=C\C/C=C\CC1C(CCCC(O)=O)O1 is an epoxy(hydroxy)icosatrienoic acid that is (8Z,11Z,14Z)-icosatrienoic acid having the epoxide group across positions 5-6 and the hydroxy substituent located at position 20. Its functional parent is arachidonic acid . It is a conjugate acid of 5,6-epoxy-20-hydroxy-(8Z,11Z,14Z)-icosatrienoate .  It is also related to or classified as omega-hydroxy-long-chain fatty acid  . It is also related to or classified as epoxy(hydroxy)icosatrienoic acid .
The molecule CCCCC/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCC(=O)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 is an unsaturated fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (7Z,10Z,13Z,16Z)-3-oxodocosatetraenoic acid. It is an unsaturated fatty acyl-CoA, a 3-oxo-fatty acyl-CoA and a long-chain fatty acyl-CoA. It is a conjugate acid of a (7Z,10Z,13Z,16Z)-3-oxodocosatetraenoyl-CoA(4-).
The molecule [H][C@]12CC[C@]3(CC1=C)C=CC(=O)[C@@](C)(CCC(=O)NC1=C(O)C(=CC=C1O)C(O)=O)[C@]3([H])C2 [H][C@]12CC[C@]3(CC1=C)C=CC(=O)[C@@](C)(CCC(=O)NC1=C(O)C(=CC=C1O)C(O)=O)[C@]3([H])C2 is A monocarboxylic acid amide obtained by the formal condensation of the amino group of 3-amino-2,4-dihydroxybenzoic acid with the carboxy group of the polycyclic cage component. It is an antibiotic isolated from Streptomyces platensis and exhibits inhibitory activity against fatty acid synthase. It has the role of antimicrobial agent . It has the role of antibacterial agent . It has the role of EC 2.3.1.85 (fatty acid synthase) inhibitor . It has the role of bacterial metabolite . It is a conjugate acid of platencin(1-) .  It is also related to or classified as monocarboxylic acid amide  . It is also related to or classified as dihydroxybenzoic acid , polycyclic cage , cyclic ketone , aromatic amide .
The molecule C1CCC(CC1)C#CC2=CC=C(C=C2)[C@@H]3[C@@H]4CNCC(=O)N4[C@H]3CO C1CCC(CC1)C#CC2=CC=C(C=C2)[C@@H]3[C@@H]4CNCC(=O)N4[C@H]3CO is (6R,7R,8R)-7-[4-(2-cyclohexylethynyl)phenyl]-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one. It is also related to or classified as benzenes , ring assembly , azetidines .
The molecule [H][C@]1(O[C@@H](C)C(=O)C=C1)O[C@H]1CC[C@@H](O[C@H]1C)O[C@@]1(C)CC(=O)c2c(C1)ccc1C(=O)c3c(O)c(ccc3C(=O)c21)[C@H]1C[C@@]2([H])O[C@@]3([H])CC(=O)[C@H](C)O[C@@]3([H])O[C@]2([H])[C@@H](C)O1 [H][C@]1(O[C@@H](C)C(=O)C=C1)O[C@H]1CC[C@@H](O[C@H]1C)O[C@@]1(C)CC(=O)c2c(C1)ccc1C(=O)c3c(O)c(ccc3C(=O)c21)[C@H]1C[C@@]2([H])O[C@@]3([H])CC(=O)[C@H](C)O[C@@]3([H])O[C@]2([H])[C@@H](C)O1 is an angucycline antibiotic that consists of a tetrangomycin skeleton linked to deoxy sugars through C-glycosidic and O-glycosidic bonds at positions 9 and 3 respectively. It is isolated from Streptomyces sp.KY002 and exhibits cytotoxicity against human lung cancer and MCF-7 human breast cancer cells. It has the role of antineoplastic agent . Its functional parent is tetrangomycin .  It is also related to or classified as glycoside  . It is also related to or classified as C-glycosyl compound , angucycline antibiotic .
The molecule CCOP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c1nc[nH]c2=O CCOP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c1nc[nH]c2=O is an organic triphosphate formed by condensation between the gamma-phospho group of inosine 5'-triphosphate and ethanol. Its functional parent is ITP . Its functional parent is ethanol . It is also related to or classified as organic triphosphate .
The molecule CC1=NC2=CC=CC=C2C1=CNNC(=O)CNC3=CC4=C(C=C3)OCO4 CC1=NC2=CC=CC=C2C1=CNNC(=O)CNC3=CC4=C(C=C3)OCO4 is 2-(1,3-benzodioxol-5-ylamino)-N'-[(2-methyl-3-indolylidene)methyl]acetohydrazide. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule [H][C@]1(CC[C@H](O)c2ccc(F)cc2)C(=O)N(c2ccc(F)cc2)[C@]1([H])c1ccc(O)cc1 [H][C@]1(CC[C@H](O)c2ccc(F)cc2)C(=O)N(c2ccc(F)cc2)[C@]1([H])c1ccc(O)cc1 is A beta-lactam that is azetidin-2-one which is substituted at 1, 3, and 4 by p-fluorophenyl, 3-(p-fluorophenyl)-3-hydroxypropyl, and  4-hydroxyphenyl groups, respectively (the 3R,3'S,4S enantiomer). It has the role of antimetabolite . It has the role of antilipemic drug . It has the role of anticholesteremic drug . It is also related to or classified as beta-lactam  . It is also related to or classified as organofluorine compound  . It is also related to or classified as azetidines .
The molecule C(=N)(NCCC[C@@H](C(=O)O)NC(C=1C=CC=CC1)=O)N C(=N)(NCCC[C@@H](C(=O)O)NC(C=1C=CC=CC1)=O)N is an N-acyl-L-arginine that is L-arginine in which one of the hydrogens attached to the alpha-amino group has been replaced by a benzoyl group. Its functional parent is benzoic acid . It is also related to or classified as N-acyl-L-arginine  . It is also related to or classified as benzamides .
The molecule C[N+](C)(C)CCCC([C@@H](C(=O)[O-])[NH3+])O is a proton-exchange tautomer of 3-hydroxy-N(6),N(6),N(6)-trimethyl-L-lysine having an anionic carboxy group and a protonated amino group. It is a tautomer of a 3-hydroxy-N(6),N(6),N(6)-trimethyl-L-lysine.
The molecule C(=C\CC1OC1CCCCCO)\CCCCCCCC(=O)O C(=C\CC1OC1CCCCCO)\CCCCCCCC(=O)O is an octadecanoid that is 12,13-epoxy-(9Z)-octadecenoic acid carrying an additional hydroxy substituent at position 18. Its functional parent is linoleic acid . It is a conjugate acid of 12,13-epoxy-18-hydroxy-(9Z)-octadecenoate . It is also related to or classified as omega-hydroxy-long-chain fatty acid  . It is also related to or classified as octadecanoid , epoxy fatty acid .
The molecule C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CC=C4[C@@]3(CC[C@@H](C4)OS(=O)(=O)[O-])C.[Na+] is an organic sodium salt that is the monosodium salt of dehydroepiandrosterone sulfate. It has a role as a human metabolite and an EC 2.7.1.33 (pantothenate kinase) inhibitor. It contains a dehydroepiandrosterone sulfate(1-).
The molecule C1=CC=NC(=C1)C(=O)OCC(=O)C2=CC=C(S2)Cl C1=CC=NC(=C1)C(=O)OCC(=O)C2=CC=C(S2)Cl is 2-pyridinecarboxylic acid [2-(5-chloro-2-thiophenyl)-2-oxoethyl] ester. It is also related to or classified as pyridines , aromatic carboxylic acid .
The molecule [H][C@@]12C[C@@]3(C\C=C(\C)C(O)=O)C(C)(C)O[C@@]([H])(C1=O)[C@]31Oc3c(CC=C(C)C)c4OC(C)(C)C=Cc4c(O)c3C(=O)C11OC21 [H][C@@]12C[C@@]3(C\C=C(\C)C(O)=O)C(C)(C)O[C@@]([H])(C1=O)[C@]31Oc3c(CC=C(C)C)c4OC(C)(C)C=Cc4c(O)c3C(=O)C11OC21 is an epoxide that is the 8,8a-epoxy derivative of morellic acid. Isolated from  Garcinia hanburyi it exhibits cytotoxic and anti-HIV activity.. It has the role of metabolite . It has the role of antineoplastic agent . It has the role of anti-HIV-1 agent . Its functional parent is morellic acid . It is also related to or classified as epoxide  .  It is also related to or classified as phenols  . It is also related to or classified as polycyclic cage , dioxo monocarboxylic acid , cyclic ketone , organic heterohexacyclic compound , alpha,beta-unsaturated monocarboxylic acid .
The molecule CCOP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c1[nH]c(=O)[nH]c2=O CCOP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c1[nH]c(=O)[nH]c2=O is an organic triphosphate formed by condensation between the gamma-phospho group of xanthosine 5'-triphosphate and ethanol. Its functional parent is XTP . Its functional parent is ethanol . It is also related to or classified as organic triphosphate .
The molecule C1CNC1C(=O)O is an azetidinecarboxylic acid that is azetidine substituted by a carboxy group at position 2. It is a plant non-protein amino acid. It has a role as a plant metabolite and a teratogenic agent. It is an azetidinecarboxylic acid and an amino acid.
The molecule CCCCCC1OC1C\C=C/CCCCCCCC([O-])=O CCCCCC1OC1C\C=C/CCCCCCCC([O-])=O is A monounsaturated fatty acid anion that is the conjugate base of vernolic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.   It is also related to or classified as long-chain fatty acid anion  . It is also related to or classified as monounsaturated fatty acid anion  . It is also related to or classified as epoxyoctadecenoate , epoxy fatty acid anion .
The molecule C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3CCCCC3)[C@@H](C)CO)C)CN(C)CC4=CC=C(C=C4)C(F)(F)F C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3CCCCC3)[C@@H](C)CO)C)CN(C)CC4=CC=C(C=C4)C(F)(F)F is N-[(3R,9R,10R)-12-[(2S)-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]cyclohexanecarboxamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CN(C)C(=O)O is an amino acid consisting of carbamic acid having two methyl substituents both attached to the nitrogen. It derives from a carbamic acid.
The molecule O[C@@H](COP(O)(O)=O)[C@@H](O)C(=O)[C@H](O)C(O)=O O[C@@H](COP(O)(O)=O)[C@@H](O)C(=O)[C@H](O)C(O)=O is A ketoaldonic acid derivative that is the 6-(dihydrogen phosphate) derivative of 3-dehydro-L-gulonic acid. It has the role of Escherichia coli metabolite . Its functional parent is 3-dehydro-L-gulonic acid . It is a conjugate acid of 3-dehydro-L-gulonate 6-phosphate . It is also related to or classified as ketoaldonic acid derivative .
The molecule [H][C@@]12C[C@@]3(C\C=C(\C)C(O)=O)C(C)(C)O[C@@]([H])(C1=O)[C@]31Oc3c(CC=C(C)C)c4OC(C)(C)C=Cc4c(O)c3C(=O)C1=C2 [H][C@@]12C[C@@]3(C\C=C(\C)C(O)=O)C(C)(C)O[C@@]([H])(C1=O)[C@]31Oc3c(CC=C(C)C)c4OC(C)(C)C=Cc4c(O)c3C(=O)C1=C2 is A dioxo monocarboxylic acid derived from morellin by oxidation of the aldehyde group to the corresponding carboxy group. Isolated from Garcinia morella and Garcinia hanburyi, it exhibits antineoplastic, antibacterial and anti-HIV activity. It has the role of metabolite . It has the role of antibacterial agent . It has the role of antineoplastic agent . It has the role of anti-HIV-1 agent . Its functional parent is morellin .  It is also related to or classified as phenols  . It is also related to or classified as polycyclic cage , dioxo monocarboxylic acid , cyclic ether , cyclic ketone , organic heterohexacyclic compound .
The molecule O[C@@H]1[C@@H](COP([O-])(=O)OP([O-])([O-])=O)O[C@H]([C@@H]1O)n1cnc2c1nc[nH]c2=O O[C@@H]1[C@@H](COP([O-])(=O)OP([O-])([O-])=O)O[C@H]([C@@H]1O)n1cnc2c1nc[nH]c2=O is A nucleoside 5'-diphosphate(3-) arising from deprotonation of all three OH groups of the diphosphate function of of inosine 5'-diphosphate (IDP); major species at pH 7.3. It has the role of Saccharomyces cerevisiae metabolite . It has the role of human metabolite . It is also related to or classified as nucleoside 5'-diphosphate(3-)  .
The molecule CCOP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O CCOP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O is an organic triphosphate formed by condensation between the gamma-phospho group of uridine 5'-triphosphate and ethanol. Its functional parent is UTP . Its functional parent is ethanol . It is also related to or classified as organic triphosphate .
The molecule NC(=O)NC(=O)CC(O)=O NC(=O)NC(=O)CC(O)=O is the ureido derivative of malonic acid. Its functional parent is malonic acid . It is a conjugate acid of 3-oxo-3-ureidopropanoate . It is also related to or classified as 3-oxo monocarboxylic acid .
The molecule C([C@H]([C@H]([C@@H](COP(=O)([O-])[O-])O)O)O)O is dianion of D-arabinitol 1-phosphate. It is an organophosphate oxoanion and a monosaccharide 1-phosphate(2-). It is a conjugate base of a D-arabinitol 1-phosphate.
The molecule CCCCCCCCCCCCCCCCCC(=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 CCCCCCCCCCCCCCCCCC(=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(4-) arising from deprotonation of phosphate and diphosphate functions of stearoyl-CoA. It has the role of Saccharomyces cerevisiae metabolite . It has the role of human metabolite . It is also related to or classified as 3-substituted propionyl-CoA(4-)  . It is also related to or classified as saturated fatty acyl-CoA(4-)  . It is also related to or classified as long-chain fatty acyl-CoA(4-)  .
The molecule C1(C(C/C=C\CCCCCO)O1)CCCCCCCC(=O)O C1(C(C/C=C\CCCCCO)O1)CCCCCCCC(=O)O is an octadecanoid that is 9,10-epoxy-(12Z)-octadecenoic acid carrying an additional hydroxy substituent at position 18. Its functional parent is linoleic acid . It is a conjugate acid of 9,10-epoxy-18-hydroxy-(12Z)-octadecenoate . It is also related to or classified as omega-hydroxy-long-chain fatty acid  . It is also related to or classified as octadecanoid , epoxy fatty acid .
The molecule CCCCCCCCCCCCCC(CC(=O)OC(CC(=O)[O-])C[N+](C)(C)C)O is an O-acylcarnitine having 3-hydroxyhexadecanoyl as the acyl substituent. It has a role as a metabolite. It is an O-acylcarnitine, an ammonium betaine and a carboxylic ester. It derives from a carnitine.
The molecule COC1=C2C=C(CCCCC(=O)CCC3=CC2=C(C=C3)O)C(=C1OC)O is a cyclic ketone isolated from the bark of Morella species and has been shown to exhibit cytotoxic activity against cancer cells. It has a role as an antineoplastic agent and a plant metabolite. It is a diarylheptanoid, an aromatic ether, a member of methoxybenzenes, a member of phenols and a cyclic ketone.
The molecule CC(C)=CCOc1ccc(cc1O)[C@@H]1CC(=O)c2c(O)cc(O)cc2O1 CC(C)=CCOc1ccc(cc1O)[C@@H]1CC(=O)c2c(O)cc(O)cc2O1 is A trihydroxyflavanone that is (2S)-flavanone substituted by hydroxy groups at positions 5, 7 and 3' and a prenyloxy group at position 4'. Isolated from Monotes engleri, it exhibits antifungal activity. It has the role of metabolite . It has the role of antifungal agent . Its functional parent is (2S)-flavanone . It is also related to or classified as trihydroxyflavanone , 3'-hydroxyflavanones .
The molecule CCOP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H](C[C@@H]1O)n1cc(C)c(=O)[nH]c1=O CCOP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H](C[C@@H]1O)n1cc(C)c(=O)[nH]c1=O is an organic diphosphate formed by condensation between the beta-phospho group of thymidine diphosphate and ethanol. Its functional parent is ethanol . Its functional parent is dTDP . It is also related to or classified as organic diphosphate .
The molecule C1=CC=C(C=C1)CC2=C(N3C=C(N=C(C3=N2)CC4=CC=CC=C4)C5=CC=C(C=C5)O)OS(=O)(=O)O is a heterocyclyl sulfate. It derives from a Renilla luciferin. It is a conjugate acid of a Renilla luciferyl sulfate(1-).
The molecule CCCCC\C=C/CC1OC1CCCCCCCC([O-])=O CCCCC\C=C/CC1OC1CCCCCCCC([O-])=O is A monounsaturated fatty acid anion that is the conjugate base of 9(10)-EpOME, obtained by deprotonation of the carboxy group; major species at pH 7.3.  It is also related to or classified as long-chain fatty acid anion  . It is also related to or classified as monounsaturated fatty acid anion  . It is also related to or classified as epoxyoctadecenoate .
The molecule CS(=O)(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])OC2CCCCC2 is a C-nitro compound that is N-methylsulfonyl-4-nitroaniline bearing an additional cyclohexyloxy substituent at position 2. It has a role as a cyclooxygenase 2 inhibitor and an antineoplastic agent. It is a sulfonamide, an aromatic ether and a C-nitro compound. It derives from a 4-nitroaniline.
The molecule OC(Cc1ccc(O)c(O)c1)C([O-])=O OC(Cc1ccc(O)c(O)c1)C([O-])=O is A hydroxy monocarboxylic acid anion that is the conjugate base of 3-(3,4-dihydroxyphenyl)lactic acid; major species at pH 7.3. It is also related to or classified as hydroxy monocarboxylic acid anion .
The molecule COC1=C(C=CC(=C1)SC)C(=O)N2CCCCCC2 COC1=C(C=CC(=C1)SC)C(=O)N2CCCCCC2 is 1-azepanyl-[2-methoxy-4-(methylthio)phenyl]methanone. It is also related to or classified as thiol  . It is also related to or classified as carbonyl compound .