anonymous041/ChEBI-Augmented huggingface dataset:
The molecule COc1c(O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)cc2oc(C)cc(=O)c2c1O COc1c(O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)cc2oc(C)cc(=O)c2c1O is A disaccharide derivative that consists of 5,7-dihydroxy-6-methoxy-2-methylchromone substituted by a rutinosyl group at position 7 via a glycosidic linkage. Isolated from  Crossosoma bigelovii, it exhibits antineoplastic activity. It has the role of metabolite . It has the role of antineoplastic agent .  It is also related to or classified as rutinoside  . It is also related to or classified as phenols  . It is also related to or classified as chromones , aromatic ether , disaccharide derivative .
The molecule CC(=O)CCC1=CC2=C(C=C1)C=C(C=C2)OC is a methyl ketone that is 2-butanone in which one of the methyl hydrogens at position 4 is replaced by a 6-methoxy-2-naphthyl group. A prodrug that is converted to the active metabolite, 6-methoxy-2-naphthylacetic acid, following oral administration. It is shown to have a slightly lower risk of gastrointestinal side effects than most other non-steroidal anti-inflammatory drugs. It has a role as a non-steroidal anti-inflammatory drug, a non-narcotic analgesic, a cyclooxygenase 2 inhibitor and a prodrug. It is a methoxynaphthalene and a methyl ketone.
The molecule C[C@H](CCCC(C)C(=O)[O-])[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](CC4=CC(=O)CC[C@]34C)O)C is a steroid acid anion that is the conjugate base of 7alpha-hydroxy-3-oxo-4-cholestenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3 It is a conjugate base of a 7alpha-hydroxy-3-oxo-4-cholestenoic acid.
The molecule O=C1N2[C@](O)(C(=O)N3[C@@]1(O)[C@@H](O)[C@@]4(C(=O)N(CC=C(C)C)C5=C4C=CC(=C5)OC)[C@@H]3C=C(C)C)CCC2 O=C1N2[C@](O)(C(=O)N3[C@@]1(O)[C@@H](O)[C@@]4(C(=O)N(CC=C(C)C)C5=C4C=CC(=C5)OC)[C@@H]3C=C(C)C)CCC2 is Spirotryprostatin D. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule [H][C@@]12COc3cc(OC)c(CC=C(C)C)cc3[C@]1([H])Oc1cc(O)ccc21 [H][C@@]12COc3cc(OC)c(CC=C(C)C)cc3[C@]1([H])Oc1cc(O)ccc21 is A member of the class of pterocarpans that is (6aR,11aR)-pterocarpan substituted by a hydroxy group at position 9, a methoxy group at position 3 and a prenyl group at position 2. Isolated from  Erythrina glauca and Erythrina burttii, it exhibits anti-HIV activity. It has the role of anti-HIV agent . It has the role of plant metabolite . Its functional parent is (6aR,11aR)-pterocarpan . It is also related to or classified as pterocarpans  . It is also related to or classified as phenols  . It is also related to or classified as aromatic ether .
The molecule C[C@H]1C[C@@]12C(=O)OC[C@H](C(=O)N[C@H](C(=O)N([C@H]3[C@@H](SC[C@@H](C(=O)N2C)N(C(=O)[C@@H](NC(=O)[C@@H](COC(=O)[C@@]4(C[C@@H]4C)N(C3=O)C)NC(=O)C5=NC6=CC=CC=C6C=C5O)C)C)SC)C)C)NC(=O)C7=NC8=CC=CC=C8C=C7O is a cyclodepsipeptide antibiotic that is isolated from Streptomyces sp. SNA15896 and also exhibits antitumour activity. It has a role as a bacterial metabolite. It is a heterodetic cyclic peptide, a hydroxyquinoline, a dithioacetal, a peptide antibiotic and a cyclodepsipeptide.
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(O)C(=O)NCCC(=O)NCCSC(=O)C[C@@H](O)CCC(O)=O 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(O)C(=O)NCCC(=O)NCCSC(=O)C[C@@H](O)CCC(O)=O is (3S)-3-Hydroxyadipyl-CoA. It is a conjugate acid of (3S)-hydroxyadipyl-CoA(5-) . It is also related to or classified as polyol .
The molecule O[C@H]1CO[C@H](OP([O-])([O-])=O)[C@H](O)[C@H]1O O[C@H]1CO[C@H](OP([O-])([O-])=O)[C@H](O)[C@H]1O is dianion of beta-L-arabinose 1-phosphate arising from deprotonation of both OH groups of the phosphate. It is also related to or classified as organophosphate oxoanion .
The molecule C[C@@]1(CSC(=N1)c1ccccc1O)C(O)=O C[C@@]1(CSC(=N1)c1ccccc1O)C(O)=O is A 1,3-thiazole that is 4,5-dihydro-1,3-thiazole-4-carboxylic acid substituted by a 2-hydroxyphenyl group at position 2 and a methyl group at position 4 (the 4S stereoisomer). It is isolated from the culture broth of Streptomyces sp.KCTC9303 and exhibits potent cytotoxic activites against number of tumour cell lines. It has the role of metabolite . It has the role of antineoplastic agent .  It is also related to or classified as phenols  . It is also related to or classified as monocarboxylic acid , 1,3-thiazoles .
The molecule CC(=O)N[C@H]1[C@H]([C@@H]([C@H](OC1O)C(=O)O)O)O is a carbohydrate acid derivative that is D-mannopyranuronic acid in which the hydroxy group at position 2 is substituted by an acetamido group. It derives from a D-mannonic acid.
The molecule Oc1cc([O-])c2cc([O-])c([o+]c2c1)-c1ccc(O)c(O)c1 Oc1cc([O-])c2cc([O-])c([o+]c2c1)-c1ccc(O)c(O)c1 is an organic anion obtained by selective deprotonation of the 3- and 5-hydroxy groups of cyanidin(1+). It is also related to or classified as anthocyanidin betaine  . It is also related to or classified as organic anion .
The molecule Cc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O Cc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O is A pyrimidine 2'-deoxyribonucleoside having thymine as the nucleobase. It has the role of metabolite . It has the role of mouse metabolite . It has the role of Escherichia coli metabolite . It has the role of human metabolite . Its functional parent is thymine . It is also related to or classified as pyrimidine 2'-deoxyribonucleoside .
The molecule COc1cc(O)c2c(oc3c(O)c(O)ccc3c2=O)c1C(=C)C(C)C COc1cc(O)c2c(oc3c(O)c(O)ccc3c2=O)c1C(=C)C(C)C is A member of the class of xanthones  that is xanthone substituted by hydroxy groups at positions 1, 5 and 6, a methoxy group at position 3 and a 3-methylbut-1-en-2-yl group at position 4. Isolated from the stem barks of Garcinia vieillardii, it exhibits antioxidant activity. It has the role of antioxidant . It has the role of metabolite . Its functional parent is xanthone . It is also related to or classified as phenols  . It is also related to or classified as aromatic ether , xanthones .
The molecule CCCCC/C=C\\C/C=C\\CCCCCCC[C@H](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 a 3-hydroxy fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (3R,11Z,14Z)-3-hydroxyicosadienoic acid. It is a (R)-3-hydroxyacyl-CoA, a 3-hydroxy fatty acyl-CoA, a long-chain fatty acyl-CoA and an unsaturated fatty acyl-CoA. It is a conjugate acid of a (3R,11Z,14Z)-3-hydroxyicosadienoyl-CoA(4-).
The molecule Cn1cnc(N)c2ncnc12 Cn1cnc(N)c2ncnc12 is A  methyladenine that is adenine substituted with a methyl group at position N-3. It has the role of human metabolite . It has the role of autophagy inhibitor . It is also related to or classified as methyladenine .
The molecule [C-]#[N+]C1CCCCC1 is an isocyanide having a cyclohexyl group attached to nitrogen. It is a conjugate base of a cyclohexyl isocyanide(1+).
The molecule COc1ccc2c(oc3c4c(OC(C)C4(C)C)cc(O)c3c2=O)c1O COc1ccc2c(oc3c4c(OC(C)C4(C)C)cc(O)c3c2=O)c1O is an organic heterotetracyclic compound that is 1,2-dihydro-6H-furo[2,3-c]xanthene substituted by hydroxy groups at positions 5 and 10, a methoxy group at position 9 and methyl groups at positions 1, 1 and 2 and an oxo group at position 6. Isolated from the stem barks of Garcinia vieillardii, it exhibits antioxidant activity. It has the role of antioxidant . It has the role of metabolite . It is also related to or classified as phenols  . It is also related to or classified as aromatic ether , cyclic ether , organic heterotetracyclic compound .
The molecule C1=CC2=C(C=C1O)C(=CN2)CC[NH3+] is an ammonium ion that is the conjugate acid of serotonin; major species at pH 7.3. It has a role as a human metabolite. It is a conjugate acid of a serotonin.
The molecule COC1=C(C(C)C)C(=O)C2=C(C1=O)[C@@]1(C)CCCC(C)(C)C1=C[C@H]2OC(C)=O COC1=C(C(C)C)C(=O)C2=C(C1=O)[C@@]1(C)CCCC(C)(C)C1=C[C@H]2OC(C)=O is an abietane diterpenoid that is the acetate ester of 12-methyl-5-dehydrohorminone. Isolated from the roots of Salvia multicaulis, it exhibits antitubercular activity. It has the role of metabolite . It has the role of antitubercular agent . Its functional parent is 12-methyl-5-dehydrohorminone .   It is also related to or classified as acetate ester  . It is also related to or classified as enol ether  . It is also related to or classified as p-quinones , abietane diterpenoid .
The molecule CCCC(=O)OCCC is a butyrate ester resulting from the formal condensation of the hydroxy group of propanol with the carboxy group of butyric acid. It has a role as a human metabolite, a plant metabolite and an insect attractant. It derives from a propan-1-ol.
The molecule COc1cc([O-])c2c(c1)oc(-c1ccc(OC)c(O)c1)c(OC)c2=O COc1cc([O-])c2c(c1)oc(-c1ccc(OC)c(O)c1)c(OC)c2=O is A flavonoid oxoanion obtained by deprotonation of the 5-hydroxy group of 3',5-dihydroxy-3,4',7-trimethoxyflavone. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.). It is also related to or classified as flavonoid oxoanion .
The molecule COC1=C(C(C)C)C(=O)C2=C(C1=O)[C@@]1(C)CCCC(C)(C)C1=C[C@H]2O COC1=C(C(C)C)C(=O)C2=C(C1=O)[C@@]1(C)CCCC(C)(C)C1=C[C@H]2O is an abietane diterpenoid that is 5-dehydrohorminone in which the hydroxy group at position 12 is replaced by a methoxy group. Isolated from the roots of Salvia multicaulis, it exhibits antitubercular activity. It has the role of metabolite . It has the role of antitubercular agent . Its functional parent is horminone .  It is also related to or classified as secondary alcohol  .  It is also related to or classified as enol ether  . It is also related to or classified as p-quinones , abietane diterpenoid .
The molecule CC(=C)CCOP(=O)(O)O is a monoalkyl phosphate that is isopentenyl alcohol in which the hydroxyl hydrogen is substituted by a phosphate group. It derives from an isopentenyl alcohol. It is a conjugate acid of an isopentenyl phosphate(2-).
The molecule C(CCCC)[C@@H]([C@@H](\C=C\[C@H](C/C=C\C/C=C\CCCC(O)=O)O)SC[C@H](NC(CC[C@H](N)C(=O)O)=O)C(=O)NCC(=O)O)O C(CCCC)[C@@H]([C@@H](\C=C\[C@H](C/C=C\C/C=C\CCCC(O)=O)O)SC[C@H](NC(CC[C@H](N)C(=O)O)=O)C(=O)NCC(=O)O)O is A glutathione conjugate in which the thiol hydrogen of glutathione has been replaced by a (6S,7R,8E,10S,12Z,15Z)-19-carboxy-6,10-dihydroxynonadeca-8,12,15-trien-7-yl group. It has the role of human xenobiotic metabolite . It is a conjugate acid of 11(S),15(S)-dihydroxy-14(R)-(S-glutathionyl)-5(Z),8(Z),12(E)-icosatrienoate(2-) . It is also related to or classified as glutathione conjugate , fatty acid derivative .
The molecule [H][C@@]12[C@@H](C[C@@H](C)[C@]3(CC\C(O3)=C/C=O)[C@@]1(C)CCCC2(C)C)OC(C)=O [H][C@@]12[C@@H](C[C@@H](C)[C@]3(CC\C(O3)=C/C=O)[C@@]1(C)CCCC2(C)C)OC(C)=O is Vitex norditerpenoid 2. It has the role of metabolite . It is also related to or classified as oxolanes .
The molecule C[C@]12CCC(=O)[C@H]([C@@H]1CCC2=O)CCC(=O)[O-] is a dioxo monocarboxylic acid anion that is the conjugate base of 9,17-dioxo-1,2,3,4,10,19-hexanorandrostan-5-oic acid, arising from deprotonation of the carboxy group; major species at pH 7.3. It has a role as a bacterial metabolite. It is a conjugate base of a 9,17-dioxo-1,2,3,4,10,19-hexanorandrostan-5-oic acid.
The molecule NC(CCCNC(N)=N)C(O)=O NC(CCCNC(N)=N)C(O)=O is an alpha-amino acid that is glycine in which the alpha-is substituted by a 3-guanidinopropyl group. It has the role of fundamental metabolite . It is a conjugate acid of argininate .  It is also related to or classified as polar amino acid  . It is also related to or classified as alpha-amino acid  . It is also related to or classified as guanidines .
The molecule C(CCCC)[C@H]1[C@H](\C=C\[C@H](C/C=C\C/C=C\CCCC(O)=O)O)O1 C(CCCC)[C@H]1[C@H](\C=C\[C@H](C/C=C\C/C=C\CCCC(O)=O)O)O1 is A hepoxilin having (5Z,9E,14Z) double bond stereochemistry, an (11S)-hydroxy substituent and a 14S,15S-epoxy group. It has the role of human xenobiotic metabolite . It is a conjugate acid of 11(S)-hydroxy-14(S),15(S)-hepoxilin A3(1-) .    It is also related to or classified as long-chain fatty acid  . It is also related to or classified as hydroxy fatty acid , hepoxilin , epoxy fatty acid , trienoic fatty acid .
The molecule [H][C@@]12CC[C@@H](C)[C@]3(CC\C(O3)=C/C=O)[C@@]1(C)CCCC2(C)C [H][C@@]12CC[C@@H](C)[C@]3(CC\C(O3)=C/C=O)[C@@]1(C)CCCC2(C)C is Vitex norditerpenoid 1. It has the role of metabolite . It is also related to or classified as oxolanes .
The molecule CC/C=C\\C/C=C\\C[C@@H](/C=C/C=C\\C=C\\[C@H](C/C=C\\CCC(=O)O)OO)OO is a docosanoid that is (4Z,8E,10Z,12E,16Z,19Z)-docosahexaenoic acid carrying two hydroperoxy substituents at the 7S- and 14S-positions. It has a role as a human xenobiotic metabolite. It is a docosanoid, a hydroperoxy fatty acid, a lipid hydroperoxide and a long-chain fatty acid. It derives from an all-cis-docosa-4,7,10,13,16,19-hexaenoic acid.
The molecule C1(=CC=NC=C1)C(N/N=C(/C([O-])=O)\C)=O.[Ca+2].C1(=CC=NC=C1)C(N/N=C(/C([O-])=O)\C)=O C1(=CC=NC=C1)C(N/N=C(/C([O-])=O)\C)=O.[Ca+2].C1(=CC=NC=C1)C(N/N=C(/C([O-])=O)\C)=O is Isoniazid calcium pyruvate. It is also related to or classified as pyridinemonocarboxylic acid , aromatic carboxylic acid .
The molecule CC[C@H](C)[C@H](OC(=O)[C@H](C(C)C)N(C)C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@@H](C)CC)N(C)C(=O)CCCC(CCCC#C)OC)C(C)C)C(C)C)C(=O)N1CCC[C@H]1C(=O)OC CC[C@H](C)[C@H](OC(=O)[C@H](C(C)C)N(C)C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@@H](C)CC)N(C)C(=O)CCCC(CCCC#C)OC)C(C)C)C(C)C)C(=O)N1CCC[C@H]1C(=O)OC is Viridamide A. It has the role of metabolite . It is also related to or classified as depsipeptide  .
The molecule [C@H]1([C@H](C([C@@H]([C@@H](C1O)OP(=O)([O-])[O-])OP(=O)([O-])[O-])OP(=O)([O-])[O-])OP(=O)([O-])[O-])OP(=O)([O-])[O-] is decaanion of 1D-myo-inositol 1,2,3,5,6-pentakisphosphate arising from global deprotonation of the phosphate functions. It is a conjugate base of a 1D-myo-inositol 1,2,3,5,6-pentakisphosphate.
The molecule Oc1ccc2[nH]cc(CC([O-])=O)c2c1 Oc1ccc2[nH]cc(CC([O-])=O)c2c1 is the indol-3-yl carboxylic acid anion formed by loss of a proton from the carboxy group of (5-hydroxyindol-3-yl)acetic acid; principal microspecies at pH 7.3. It has the role of human metabolite . It is also related to or classified as indol-3-yl carboxylic acid anion .
The molecule C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)O2 is a benzoxazine that is 4H-3,1-benzoxazin-4-one substituted by a phenyl group at position 2. It is a postemergence herbicide used for the control of annual weeds in cereal crops, maize, and rice. It has a role as a herbicide.
The molecule CCCCCCC(C)C1OC(=O)[C@H](NC(=O)[C@H](C)NC(=O)\C=C\C(=C)NC(=O)C1CCO)C(C)C CCCCCCC(C)C1OC(=O)[C@H](NC(=O)[C@H](C)NC(=O)\C=C\C(=C)NC(=O)C1CCO)C(C)C is A 15-membered cyclodepsipeptide isolated from Streptomyces sp.M1982-63F1. It exhibits moderate activity against Gram-positive bacteria. It has the role of metabolite . It has the role of antimicrobial agent . It has the role of antibacterial agent . It is also related to or classified as primary alcohol  . It is also related to or classified as cyclodepsipeptide  . It is also related to or classified as macrocycle  .
The molecule CNC(=O)[C@@]1(C2=C(C3=C(C4=C(N3C1=O)C=CC(=C4)Cl)OC)NC5=C2C=C(C=C5)Cl)O is an organic heteropentacyclic compound that is 7,12-dihydro-6H-pyrido[1,2-a:3,4-b']diindole substituted by chloro groups at positions 2 and 9, a hydroxy group at position 7, a methoxy group at position 13, a N-methyl carbamyl group at position 7 and an oxo group at position 6 (the 7R stereoisomer). It is isolated from the culture broth of Streptomyces uncialis and exhibits cytotoxicity against human breast cancer MCF- cells. It has a role as an antineoplastic agent. It is an organic heteropentacyclic compound, a lactam, an organochlorine compound, a tertiary alcohol, a cladoniamide and a secondary carboxamide.
The molecule [NH3+][C@@H](CCC(=O)N[C@@H](CSC(=O)CCC([O-])=O)C(=O)NCC([O-])=O)C([O-])=O [NH3+][C@@H](CCC(=O)N[C@@H](CSC(=O)CCC([O-])=O)C(=O)NCC([O-])=O)C([O-])=O is dianion of S-succinylglutathione having anionic carboxy groups and a protonated primary amino group. It is also related to or classified as tricarboxylic acid dianion .
The molecule [H][C@@]12[C@H](Oc3cc(O)cc(c13)[C@@]1([H])[C@@H](Oc3cc(O)cc(c13)[C@@]1([H])[C@@H](Oc3cc(O)cc2c13)c1ccc(O)cc1)c1ccc(O)cc1)c1ccc(O)cc1 [H][C@@]12[C@H](Oc3cc(O)cc(c13)[C@@]1([H])[C@@H](Oc3cc(O)cc(c13)[C@@]1([H])[C@@H](Oc3cc(O)cc2c13)c1ccc(O)cc1)c1ccc(O)cc1)c1ccc(O)cc1 is A nine-membered macrocycle that incorporates three 6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuranyl moieties as part of the cyclic skeleton. It is isolated from Caragana chamlague Lamarck and exhibits significant inhibitory effect towards the enzyme acetylcholinesterase (EC 3.1.1.7). It has the role of EC 3.1.1.7 (acetylcholinesterase) inhibitor . It has the role of anti-inflammatory agent . It has the role of plant metabolite . Its functional parent is resveratrol .   It is also related to or classified as macrocycle  . It is also related to or classified as polyphenol , 1-benzofurans .
The molecule CC(C)C[C@@H](C(=O)NO)NC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)OCC2=CC=CC=C2 is the dipeptide obtained by coupling N-benzyloxycarbonyl-L-tyrosine with the hydroxamic acid derivative of L-leucine. It is an inhibitor of the metallo-protease enzyme, pseudolysin (EC 3.4.24.36). It has a role as an EC 3.4.24.* (metalloendopeptidase) inhibitor.
The molecule Cc1c(C([O-])=O)c(O)cc2cc3Cc4cc(O)cc(O)c4C(=O)c3c(O)c12 Cc1c(C([O-])=O)c(O)cc2cc3Cc4cc(O)cc(O)c4C(=O)c3c(O)c12 is A hydroxy monocarboxylic acid anion that is the conjugate base of tetracenomycin F1, obtained by deprotonation of the carboxy group. It is also related to or classified as hydroxy monocarboxylic acid anion .
The molecule CC\C=C/C[C@H](O)\C=C\[C@@H]1[C@@H](C\C=C/CCCC(O)=O)[C@@H](O)CC1=O CC\C=C/C[C@H](O)\C=C\[C@@H]1[C@@H](C\C=C/CCCC(O)=O)[C@@H](O)CC1=O is A member of the class of prostaglandins D that is prosta-5,13,17-trien-1-oic acid substituted by hydroxy groups at positions 9 and 15 and an oxo group at position 11 (the 5Z,13E,15S,17Z-stereoisomer). It has the role of human metabolite . It is a conjugate acid of prostaglandin D3(1-) . It is also related to or classified as prostaglandins D  .
The molecule [H][C@]12C[C@]3([H])[C@@]4(CC1=C)C(=O)C(=O)[C@]1([H])[C@@]5(C)C[C@@H](C[C@@]31[C@]([H])(N(C)C5)[C@@]4([H])C2=O)OC(C)=O [H][C@]12C[C@]3([H])[C@@]4(CC1=C)C(=O)C(=O)[C@]1([H])[C@@]5(C)C[C@@H](C[C@@]31[C@]([H])(N(C)C5)[C@@]4([H])C2=O)OC(C)=O is Vilmorrianone. It has the role of metabolite . It is also related to or classified as diterpene alkaloid .
The molecule CCCCCCCCCCCCCCCC(=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 a long-chain fatty acyl-CoA resulting from the formal condensation of the carboxy group of hexadecanoic acid with the thiol group of coenzyme A. It has a role as an Escherichia coli metabolite and a mouse metabolite. It is a long-chain fatty acyl-CoA, a palmitoyl bioconjugate, an 11,12-saturated fatty acyl-CoA and a 3-substituted propionyl-CoA. It derives from a coenzyme A, a hexadecanoic acid and a hexadecanoate. It is a conjugate acid of a palmitoyl-CoA(4-).
The molecule CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C)(O)C[C@@H](C)C(=NOCOCCOC)[C@H](C)[C@@H](O)[C@]1(C)O CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C)(O)C[C@@H](C)C(=NOCOCCOC)[C@H](C)[C@@H](O)[C@]1(C)O is semisynthetic derivative of erythromycin A. It has the role of antibacterial drug . Its functional parent is erythromycin A .   It is also related to or classified as macrolide  . It is also related to or classified as erythromycin derivative , semisynthetic derivative .
The molecule [H][C@]12Nc3ccccc3[C@@]1([C@@H](O)[C@@]1(SS)N2C(=O)CN(C)C1=O)[C@]12[C@H](O)[C@]34SS[C@](N(C)C3=O)(C(C)=O)C(=O)N4[C@@]1([H])Nc1ccccc21 [H][C@]12Nc3ccccc3[C@@]1([C@@H](O)[C@@]1(SS)N2C(=O)CN(C)C1=O)[C@]12[C@H](O)[C@]34SS[C@](N(C)C3=O)(C(C)=O)C(=O)N4[C@@]1([H])Nc1ccccc21 is Verticillin G. It has the role of metabolite . It is also related to or classified as pyrroloindole .
The molecule C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O)O is a quercetin O-glucoside in which a glucosyl residue is attached at position 7 of quercetin via a beta-glycosidic linkage. It has a role as an antioxidant and a metabolite. It is a beta-D-glucoside, a monosaccharide derivative, a member of flavonols, a tetrahydroxyflavone and a quercetin O-glucoside.
The molecule C[C@@](O)(CCO)CC(O)=O C[C@@](O)(CCO)CC(O)=O is the (R)-enantiomer of mevalonic acid. It is a conjugate acid of (R)-mevalonate . It is also related to or classified as 3,5-dihydroxy-3-methylpentanoic acid  .
The molecule [H][C@]1(O[C@@H](C)[C@@H](O)[C@@H](OC)[C@@H]1OC(C)=O)O[C@H]1[C@@H](O)CC[C@@]2(C)[C@]1([H])CC[C@@]1([H])[C@]3([H])CC[C@H](C=C)[C@@]3(C)CC[C@]21[H] [H][C@]1(O[C@@H](C)[C@@H](O)[C@@H](OC)[C@@H]1OC(C)=O)O[C@H]1[C@@H](O)CC[C@@]2(C)[C@]1([H])CC[C@@]1([H])[C@]3([H])CC[C@H](C=C)[C@@]3(C)CC[C@]21[H] is Verrucoside. It has the role of metabolite . It is also related to or classified as steroid saponin .
The molecule C(C=O)[C@@H]([C@@H](COP(=O)([O-])[O-])O)O is dianion of 2-deoxy-D-ribose 5-phosphate arising from deprotonation of the phosphate OH groups; major product at pH 7.3. It has a role as a human metabolite and a Saccharomyces cerevisiae metabolite. It is a conjugate base of a 2-deoxy-D-ribose 5-phosphate.
The molecule Nc1ccn([C@@H]2O[C@H](COP(O)(=O)OP(O)(=O)OCC(O)CO)[C@@H](O)[C@H]2O)c(=O)n1 Nc1ccn([C@@H]2O[C@H](COP(O)(=O)OP(O)(=O)OCC(O)CO)[C@@H](O)[C@H]2O)c(=O)n1 is A nucleotide-alditol having cytidine-5'-diphosphate and glycerol as the nucleotide and alditol components respectively. It is also related to or classified as nucleotide-alditol  .
The molecule C1=CC=C2N=C\\3C(=C(C(=O)/C3=C/C4=CC=C(C=C4)O)C5=C6C(=NC7=CC=CC=C67)/C(=C\\C8=CC=C(C=C8)O)/C5=O)C2=C1 is a ring assembly obtained by 1,1'-coupling of two molecules of (3E)-3-[(4-hydroxyphenyl)methylidene]cyclopenta[b]indol-2(3H)-one. A UV-screening molecule produced by many strains of cyanobacteria. It has a role as a biological pigment, a bacterial metabolite and an ultraviolet filter. It is an organic heterotricyclic compound, a polyphenol, an enone, an organonitrogen heterocyclic compound and a ring assembly.
The molecule COc1ccc(C\C(=N/O)C(=O)NCCc2c[nH]cn2)cc1Br COc1ccc(C\C(=N/O)C(=O)NCCc2c[nH]cn2)cc1Br is A  monocarboxylic acid amide that is N-[2-(1H-imidazol-4-yl)ethyl]propanamide substituted by a hydroxyimino group at position 2 and a 3-bromo-4-methoxyphenyl group at position 3. A bromotyrosine derivative isolated from the marine sponge Verongula gigantea, it exhibits histamine-H3 antagonist activity. It has the role of H3-receptor antagonist . It has the role of animal metabolite . It has the role of marine metabolite .  It is also related to or classified as ketoxime  .  It is also related to or classified as monocarboxylic acid amide  . It is also related to or classified as imidazoles , monomethoxybenzene , bromobenzenes .
The molecule CCCCCCC(=O)OCC is the fatty acid ethyl ester of heptanoic acid. It has a role as a metabolite. It derives from a heptanoic acid.
The molecule OC[C@@H]1O[C@H](O)[C@@H](O)[C@H](O)[C@H]1O OC[C@@H]1O[C@H](O)[C@@H](O)[C@H](O)[C@H]1O is A L-glucopyranose with a beta-configuration at the anomeric position. It is also related to or classified as L-glucopyranose  .
The molecule CC(C)[C@H]1NC(=O)c2csc(n2)[C@H](NC(=O)c2nc(oc2C)[C@@H](C)NC(=O)c2csc1n2)[C@@H](C)O CC(C)[C@H]1NC(=O)c2csc(n2)[C@H](NC(=O)c2nc(oc2C)[C@@H](C)NC(=O)c2csc1n2)[C@@H](C)O is an eighteen-membered homodetic cyclic peptide which is isolated from  Oscillatoria sp. and exhibits antimalarial activity against the W2 chloroquine-resistant strain of the malarial parasite, Plasmodium falciparum. It has the role of metabolite . It has the role of antimalarial .    It is also related to or classified as macrocycle  . It is also related to or classified as homodetic cyclic peptide , 1,3-thiazoles , 1,3-oxazoles .