anonymous041/ChEBI-Augmented huggingface dataset:
The molecule COc1cc2oc3c(OC)c(cc(OC)c3c2cc1OC)-c1ccc(O)c(CC=C(C)C)c1 COc1cc2oc3c(OC)c(cc(OC)c3c2cc1OC)-c1ccc(O)c(CC=C(C)C)c1 is A member of the class of  dibenzofurans that is 1,4,7,8-tetramethoxydibenzo[b,d]furan substituted by a 4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl substituent at position 3. It has been isolated from Aspergillus taichungensis. It has the role of antineoplastic agent . It has the role of Aspergillus metabolite . It is also related to or classified as phenols  . It is also related to or classified as aromatic ether , dibenzofurans .
The molecule C/C(=N\\OCC1=CC=CC=C1/C(=N\\OC)/C(=O)NC)/C=C/C2=C(C=CC=C2Cl)Cl is a monocarboxylic acid amide obtained by formal condensation of the carboxy group of (2E)-{2-[({(E)-[(3E)-4-(2,6-dichlorophenyl)but-3-en-2-ylidene]amino}oxy)methyl]phenyl}(methoxyimino)acetic acid with the amino group of methylamine. A broad-spectrum fungicide. It has a role as a mitochondrial cytochrome-bc1 complex inhibitor and an antifungal agrochemical. It is an oxime O-ether, a monocarboxylic acid amide, an olefinic compound, a dichlorobenzene, an amide fungicide and a methoxyiminoacetamide strobilurin antifungal agent.
The molecule O1C([C@@H](O)[C@H](O)C(O)[C@@H]1OC=2C=C3OC=C(C(=O)C3=C(O)C2)C4=CC=C(OC)C=C4)CO[C@@H]5OC([C@H](O)C(O)[C@@H]5O)C O1C([C@@H](O)[C@H](O)C(O)[C@@H]1OC=2C=C3OC=C(C(=O)C3=C(O)C2)C4=CC=C(OC)C=C4)CO[C@@H]5OC([C@H](O)C(O)[C@@H]5O)C is Biochanin A 7-O-rutinoside. It is also related to or classified as acrovestone  . It is also related to or classified as isoflavonoid .
The molecule [H][C@@]12CC[C@@]3([H])[C@]4(C)[C@@H](O)CC[C@@](C)(COC(C)=O)[C@@]4([H])[C@H](OC(C)=O)C(=O)[C@]3(C1)[C@H](O)C2=C [H][C@@]12CC[C@@]3([H])[C@]4(C)[C@@H](O)CC[C@@](C)(COC(C)=O)[C@@]4([H])[C@H](OC(C)=O)C(=O)[C@]3(C1)[C@H](O)C2=C is Maoesin E, (rel)-. It has the role of metabolite . It is also related to or classified as kaurane diterpenoid .
The molecule CC1=CN=C(C=N1)C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)NC(=O)NC3CCCCC3 is an N-sulfonylurea that is glyburide in which the (5-chloro-2-methoxybenzoyl group is replaced by a (5-methylpyrazin-2-yl)carbonyl group. An oral hypoglycemic agent, it is used in the treatment of type 2 diabetes mellitus. It has a role as a hypoglycemic agent, an EC 2.7.1.33 (pantothenate kinase) inhibitor and an insulin secretagogue. It is a N-sulfonylurea, a member of pyrazines, an aromatic amide and a monocarboxylic acid amide.
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)OP(=O)(O)O)O)O)N is an adenosine 5'-phosphate in which the 5'-phosphate is a triphosphate group. It is involved in the transportation of chemical energy during metabolic pathways. It has a role as a nutraceutical, a micronutrient, a fundamental metabolite and a cofactor. It is an adenosine 5'-phosphate and a purine ribonucleoside 5'-triphosphate. It is a conjugate acid of an ATP(3-).
The molecule C[C@@H]1CC[C@@]2([C@@H]([C@@]1(C)CCC(CCO)CO)CCC=C2C(=O)O)C is a diterpenoid that is 3,4,4a,5,6,7,8,8a-octahydronaphthalene-1-carboxylic acid substituted by methyl groups at positions 5, 6 and 8a and a 5-hydroxy-3-(hydroxymethyl)pentyl group at position 5 (the 4aR,5S,6R,8aR stereoisomer). It is isolated from the whole plant of Ballota limbata (Syn.Otostegia limbata) and acts as a lipoxygenase inhibitor. It has a role as a metabolite and a lipoxygenase inhibitor. It is a monocarboxylic acid, a diterpenoid, a diol, a carbobicyclic compound and a member of octahydronaphthalenes.
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)NCCSC(=O)c1cccs1 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)NCCSC(=O)c1cccs1 is an acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of thiophene-2-carboxylic acid. Its functional parent is coenzyme A . Its functional parent is thiophene-2-carboxylic acid . It is a conjugate acid of thiophene-2-carbonyl-CoA(4-) . It is also related to or classified as acyl-CoA  .
The molecule CCCCCCCCCCCCCCCC(=O)OC/C=C(\\C)/C=C\\C=C(/C)\\C=C\\C1=C(CCCC1(C)C)C is the 11-cis-isomer of retinyl palmitate. It has a role as a human metabolite. It derives from an 11-cis-retinol.
The molecule [H][C@]1(CC2=CC(=O)C(=O)C=C2N1)C(O)=O [H][C@]1(CC2=CC(=O)C(=O)C=C2N1)C(O)=O is the L-enantiomer of dopachrome. It has the role of mouse metabolite . It is a conjugate acid of L-dopachromate . It is also related to or classified as dopachrome  .
The molecule OC(=O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O OC(=O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O is A  quinolone that is quinolin-4(1H)-one bearing cyclopropyl, carboxylic acid, fluoro and piperazin-1-yl substituents at positions 1, 3, 6 and 7, respectively. It has the role of antimicrobial agent . It has the role of antiinfective agent . It has the role of xenobiotic . It has the role of antibacterial drug . It has the role of EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor . It has the role of topoisomerase IV inhibitor . It has the role of DNA synthesis inhibitor . It has the role of environmental contaminant .   It is also related to or classified as aminoquinoline  . It is also related to or classified as quinolone , quinolinemonocarboxylic acid , N-arylpiperazine , cyclopropanes , quinolone antibiotic , fluoroquinolone antibiotic .
The molecule C1=CC(=C(C=C1/C=C/C(=O)C2=C(C=C(C=C2O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)O is a beta-D-glucoside in which a beta-D-glucopyranosyl residue is attached at position 4' of 2',3,4,4',6'-pentahydroxychalcone via a glycosidic linkage. It derives from a 2',3,4,4',6'-pentahydroxychalcone. It is a conjugate acid of a 2',3,4,4',6'-pentahydroxychalcone 4'-O-beta-D-glucoside(1-).
The molecule COc1cc(-c2ccc(O)cc2)c(OC)c2oc3cc(O)c(O)cc3c12 COc1cc(-c2ccc(O)cc2)c(OC)c2oc3cc(O)c(O)cc3c12 is A member of the class of dibenzofurans that is dibenzo[b,d]furan substituted by methoxy groups at positions 6 and 9, hydroxy groups at positions 2 and 3 and a phenolic group at position 7. It has been isolated from Aspergillus taichungensis. It has the role of Aspergillus metabolite . It is also related to or classified as catechols  . It is also related to or classified as aromatic ether , dibenzofurans .
The molecule [H]C(=C([H])C(=O)CC([O-])=O)C([O-])=O [H]C(=C([H])C(=O)CC([O-])=O)C([O-])=O is an  oxo dicarboxylate that is the conjugate base of 4-oxohex-2-enedioic acid. It is also related to or classified as oxo dicarboxylate .
The molecule O(C1C(O)C(OC(C1O)C)OCC2OC(OC3=C(OC=4C(C3=O)=C(O)C=C(O)C4)C5=CC(OC)=C(O)C=C5)C(O)C(O)C2O)C6OC(C(O)C(O)C6O)C O(C1C(O)C(OC(C1O)C)OCC2OC(OC3=C(OC=4C(C3=O)=C(O)C=C(O)C4)C5=CC(OC)=C(O)C=C5)C(O)C(O)C2O)C6OC(C(O)C(O)C6O)C is Isorhamnetin 3-O-[a-L-rhamnopyranosyl-(1->3)-a-L-rhamnopyranosyl-(1->6)-b-D-glucopyranoside]. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule CC1=CCC[C@]2([C@H]1C[C@H](CC2)C(C)(C)O)C is a eudesmane sesquiterpenoid in which the eudesmane skeleton carries a hydroxy substituent at C-11 and has a double bond between C-3 and C-4. It has a role as a plant metabolite and a volatile oil component. It is a eudesmane sesquiterpenoid, a member of octahydronaphthalenes and a tertiary alcohol.
The molecule CC(C)(C)OC(=O)NC1=CC=CC(=N1)CO/N=C(/C2=CC=CC=C2)\\C3=NN=NN3C is an oxime O-ether that is the (Z)-oxime derivative of 1-methyl-1H-tetrazol-5-yl phenyl ketone in which the hydrogen of the hydroxy group has been replaced by the N-tert-butoxycarbonyl derivative of a [6-(Boc-amino)pyridin-2-yl]methyl group. It is a novel fungicide developed for use on cereals. It has a role as an antifungal agrochemical. It is a carbamate ester, a member of tetrazoles, a member of pyridines, an oxime O-ether and a carbamate fungicide.
The molecule OC(=O)COc1ccc(Cl)cc1Cl OC(=O)COc1ccc(Cl)cc1Cl is A chlorophenoxyacetic acid that is phenoxyacetic acid in which the ring hydrogens at postions 2 and 4 are substituted by chlorines. It has the role of defoliant . It has the role of synthetic auxin . It has the role of agrochemical . It has the role of phenoxy herbicide . It has the role of EC 1.1.1.25 (shikimate dehydrogenase) inhibitor . It has the role of environmental contaminant . It is a conjugate acid of (2,4-dichlorophenoxy)acetate .  It is also related to or classified as dichlorobenzene  . It is also related to or classified as chlorophenoxyacetic acid .
The molecule [H][C@@]12C[C@@]3(C(=O)C1=C)[C@@]([H])(C=C2)[C@]12CC[C@H](OC(C)=O)[C@@](C)(COC(C)=O)[C@@]1([H])[C@H](O)[C@]3(O)OC2 [H][C@@]12C[C@@]3(C(=O)C1=C)[C@@]([H])(C=C2)[C@]12CC[C@H](OC(C)=O)[C@@](C)(COC(C)=O)[C@@]1([H])[C@H](O)[C@]3(O)OC2 is Maoesin D. It has the role of metabolite . It is also related to or classified as kaurane diterpenoid .
The molecule CC(C)[C@H]\\1CC[C@]2(/C1=C\\C[C@]([C@@H]3[C@@H](C[C@H]([C@H]3C2)CO)O)(C)O)C is a diterpenoid characterized by a 5-8-5 dodecahydrodicyclopenta[a,d]cyclooctene fused-ring system, with a single double bond and one isopropyl, two hydroxy, one hydroxymethyl and two methyl substituents. It has a role as an EC 3.1.1.5 (lysophospholipase) inhibitor and a bacterial metabolite. It is a diterpenoid, a carbotricyclic compound, a tertiary alcohol, a secondary alcohol and a primary alcohol.
The molecule NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1 NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1 is A tripeptide composed of L-pyroglutamyl, L-histidyl and L-prolinamide residues joined in sequence. It has the role of human metabolite .  It is also related to or classified as tripeptide  . It is also related to or classified as peptide hormone .
The molecule CCCNC(=O)N1CC2(C1)[C@@H]([C@H](N2CC3=CC=CC=N3)CO)C4=CC=CC=C4 CCCNC(=O)N1CC2(C1)[C@@H]([C@H](N2CC3=CC=CC=N3)CO)C4=CC=CC=C4 is (2S,3R)-2-(hydroxymethyl)-3-phenyl-N-propyl-1-(2-pyridinylmethyl)-1,6-diazaspiro[3.3]heptane-6-carboxamide. It is also related to or classified as benzenes , ring assembly , azetidines .
The molecule C1=CC(=C(C=C1C(=O)OC2=CC(=CC(=C2C(=O)O)O)O)O)[O-] is a hydroxy monocarboxylic acid anion that is the conjugate base of 2-(3,4-dihydroxybenzoyloxy)-4,6-dihydroxybenzoic acid. It is a conjugate base of a 2-(3,4-dihydroxybenzoyloxy)-4,6-dihydroxybenzoic acid.
The molecule [Na+].Nc1ccc(cc1)[As](O)([O-])=O [Na+].Nc1ccc(cc1)[As](O)([O-])=O is sodium arsanilate. It has the role of antisyphilitic drug . It is also related to or classified as organic sodium salt , organoarsonic acid salt .
The molecule [O-]C(=O)CC(=O)Nc1ccccc1C([O-])=O [O-]C(=O)CC(=O)Nc1ccccc1C([O-])=O is N-malonylanthranilate. Its functional parent is anthranilate . It is also related to or classified as dicarboxylic acid dianion  .
The molecule CC(CCCCC(=O)O)O is an (omega-1)-hydroxy fatty acid that is heptanoic acid in which one of the hydrogens at position 6 is replaced by a hydroxy group. It is a medium-chain fatty acid and an (omega-1)-hydroxy fatty acid. It derives from a heptanoic acid.
The molecule COc1cc(-c2ccc(O)c(CC=C(C)C)c2)c(OC)c2oc3cc(O)c(O)cc3c12 COc1cc(-c2ccc(O)c(CC=C(C)C)c2)c(OC)c2oc3cc(O)c(O)cc3c12 is A member of the class of  dibenzofurans that is candidusin A substituted by a prenyl group at position 3 of the phenyl ring substituent. It has been isolated from Aspergillus taichungensis. It has the role of antineoplastic agent . It has the role of Aspergillus metabolite . Its functional parent is candidusin A . It is also related to or classified as catechols  . It is also related to or classified as aromatic ether , dibenzofurans .
The molecule O(C1[C@@H](O)[C@H](O)C(O[C@H]1OC=2C=C3OC(=CC(=O)C3=C(O)C2)C4=CC=C(O)C=C4)CO)[C@@H]5OC([C@H](O)[C@H](O)C5O)C O(C1[C@@H](O)[C@H](O)C(O[C@H]1OC=2C=C3OC(=CC(=O)C3=C(O)C2)C4=CC=C(O)C=C4)CO)[C@@H]5OC([C@H](O)[C@H](O)C5O)C is Apigenin 7-neohesperidoside. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule [H][C@@]12C[C@@H](O)[C@@]3([H])[C@]45CC[C@H](OC(C)=O)[C@@](C)(COC(C)=O)[C@@]4([H])[C@H](O)[C@](O)(OC5)[C@]3(C1)C(=O)C2=C [H][C@@]12C[C@@H](O)[C@@]3([H])[C@]45CC[C@H](OC(C)=O)[C@@](C)(COC(C)=O)[C@@]4([H])[C@H](O)[C@](O)(OC5)[C@]3(C1)C(=O)C2=C is Maoesin C. It has the role of metabolite . It is also related to or classified as kaurane diterpenoid .
The molecule COC1=C(C2=C(C=C1O)OC(=CC2=O)C3=CC=C(C=C3)O)O is a monomethoxyflavone that is scutellarein methylated at position 6. It has a role as an apoptosis inducer, an anti-inflammatory agent, an antioxidant, an anticonvulsant, an antineoplastic agent and a plant metabolite. It is a trihydroxyflavone and a monomethoxyflavone. It derives from a scutellarein.
The molecule COC1=CC=CC(=C1)C(=O)NC2=C(NC3=CC(=C(C=C32)OC)OC)C(=O)OC COC1=CC=CC(=C1)C(=O)NC2=C(NC3=CC(=C(C=C32)OC)OC)C(=O)OC is 5,6-dimethoxy-3-[[(3-methoxyphenyl)-oxomethyl]amino]-1H-indole-2-carboxylic acid methyl ester. It is also related to or classified as indolyl carboxylic acid .
The molecule C[C@@]12CC[C@@H]([C@]1([C@H](CC3=C2CC[C@@H]4[C@@]3(C[C@H]([C@@H](C4(C)C)OC(=O)CC(C)(CC(=O)NC(CC5=CC=CC=C5)C(=O)OC)O)O)C)O)C)[C@H]6CC[C@@H](O[C@@H]6O)C(C)(C)O is a tetracyclic triterpenoid isolated from Tricholoma saponaceum. It has a role as a plant metabolite. It is a triterpenoid, a tetracyclic triterpenoid, a tetrol, a methyl ester and a secondary carboxamide.
The molecule C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)F)[C@H](C)CO)C)CN(C)CC4=CC(=C(C=C4)Cl)Cl C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)F)[C@H](C)CO)C)CN(C)CC4=CC(=C(C=C4)Cl)Cl is N-[(3S,9S,10S)-9-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-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-16-yl]-4-fluorobenzenesulfonamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C[C@@H]1CN([C@H](COC2=C(C=C(C=C2)NS(=O)(=O)CC(F)(F)F)C(=O)N(C[C@H]1OC)C)C)C C[C@@H]1CN([C@H](COC2=C(C=C(C=C2)NS(=O)(=O)CC(F)(F)F)C(=O)N(C[C@H]1OC)C)C)C is 2,2,2-trifluoro-N-[(4S,7R,8S)-8-methoxy-4,5,7,10-tetramethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]ethanesulfonamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CCCN1C(=O)C2=C(C=CC(=C2)I)N=C1OCCC is a member of the class of quinazolines that is quinazolin-4-one substituted at positions 2, 3 and 6 by propoxy, propyl and iodo groups respectively. A fungicide with the potential to control powdery mildew in a range of crops including cereals and grapes. It has a role as an antifungal agrochemical. It is a member of quinazolines, an organoiodine compound and an aromatic ether.
The molecule O(C=1C=C(NC(=O)\C=C\C2=CC(OC)=C(O)C=C2)C(=CC1O)C(O)=O)C O(C=1C=C(NC(=O)\C=C\C2=CC(OC)=C(O)C=C2)C(=CC1O)C(O)=O)C is Avenanthramide 2. It is also related to or classified as alkaloid  . It is also related to or classified as benzamides .
The molecule CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC1=C(C(=CC(=C1)C(=O)O)O)[O-])/C)/C)/C)/C)/C)/C)/C)/C)/C)C is a 3,4-dihydroxy-5-polyprenylbenzoate in which the polyprenyl chain contains 10 prenyl units; major species at pH 7.3. It is a conjugate base of a 3-decaprenyl-4,5-dihydroxybenzoic acid.
The molecule COc1cc(-c2ccc(O)cc2)c(OC)c(O)c1-c1ccc(O)c(O)c1 COc1cc(-c2ccc(O)cc2)c(OC)c(O)c1-c1ccc(O)c(O)c1 is A para-terphenyl that is the 3-hydroxy derivative of  terphenyllin. It has been isolated from Aspergillus taichungensis. It has the role of Aspergillus metabolite . Its functional parent is terphenyllin . It is also related to or classified as catechols  . It is also related to or classified as dimethoxybenzene , para-terphenyl .
The molecule O[C@@H](CS([O-])(=O)=O)C([O-])=O O[C@@H](CS([O-])(=O)=O)C([O-])=O is an organosulfonate oxoanion that results from the deprotonation of the carboxylic and sulfonic acid functions of (R)-3-sulfolactic acid. It is also related to or classified as organosulfonate oxoanion  . It is also related to or classified as monocarboxylic acid anion  .
The molecule O([C@H]1C(O)[C@@H](O)C(O[C@H]1OC2=C(OC=3C(C2=O)=C(O)C=C(O)C3)C4=CC(O)=C(O)C=C4)C)[C@@H]5OC[C@@H](O)C(O)[C@H]5O O([C@H]1C(O)[C@@H](O)C(O[C@H]1OC2=C(OC=3C(C2=O)=C(O)C=C(O)C3)C4=CC(O)=C(O)C=C4)C)[C@@H]5OC[C@@H](O)C(O)[C@H]5O is Quercetin 3-xylosyl-(1->2)-rhamnoside. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule [H][C@@]12CC[C@@]3([H])[C@@]45CO[C@@](O)([C@H](O)[C@]4([H])[C@@](C)(CC[C@H]5O)COC(C)=O)[C@]3(C1)[C@H](O)C2=C [H][C@@]12CC[C@@]3([H])[C@@]45CO[C@@](O)([C@H](O)[C@]4([H])[C@@](C)(CC[C@H]5O)COC(C)=O)[C@]3(C1)[C@H](O)C2=C is Maoesin B, (rel)-. It has the role of metabolite . It is also related to or classified as kaurane diterpenoid .
The molecule [H][C@]12C[C@H](O)CC[C@]1(C)[C@@]1([H])C[C@H](O)[C@]3(C)[C@]([H])(CC[C@@]3([H])[C@]1([H])[C@H](O)C2)[C@H](C)CCCOS([O-])(=O)=O [H][C@]12C[C@H](O)CC[C@]1(C)[C@@]1([H])C[C@H](O)[C@]3(C)[C@]([H])(CC[C@@]3([H])[C@]1([H])[C@H](O)C2)[C@H](C)CCCOS([O-])(=O)=O is conjjugate base of 3alpha,7alpha,12alpha-trihydroxy-5alpha-cholan-24-yl sulfate. It is also related to or classified as steroid sulfate oxoanion .
The molecule C(CS(=O)(=O)[O-])O is the alkanesulfonate that is the anion formed from isethionic acid by loss of a proton from the sulfo group; major microspecies at pH 7.3. It is a conjugate base of an isethionic acid.
The molecule CCn1cc(C(O)=O)c(=O)c2cc(F)c(cc12)N1CCNCC1 CCn1cc(C(O)=O)c(=O)c2cc(F)c(cc12)N1CCNCC1 is A quinolinemonocarboxylic acid with broad-spectrum antibacterial activity against most gram-negative and gram-positive bacteria. Norfloxacin is bactericidal and its mode of action depends on blocking of bacterial DNA replication by binding itself to an enzyme called DNA gyrase. It has the role of xenobiotic . It has the role of antibacterial drug . It has the role of DNA synthesis inhibitor . It has the role of environmental contaminant . It is also related to or classified as quinolone , quinolinemonocarboxylic acid , N-arylpiperazine , quinolone antibiotic , fluoroquinolone antibiotic .
The molecule C[C@H]1[C@@H](C[C@H]([C@@H](O1)OCCCCCCCCCCCC/C=C/C(=O)[O-])O)O is a hydroxy fatty acid ascaroside anion that is the conjugate base of oscr#25, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is a conjugate base of an oscr#25.
The molecule C[C@](CCO)(CC(=O)O)O is the (S)-enantiomer of mevalonic acid. It is a conjugate acid of a (S)-mevalonate. It is an enantiomer of a (R)-mevalonic acid.
The molecule C[C@@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)C3=CC=C(C=C3)F)C(=O)N(C[C@@H]1OC)C)C)C C[C@@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)C3=CC=C(C=C3)F)C(=O)N(C[C@@H]1OC)C)C)C is 4-fluoro-N-[(4R,7R,8R)-8-methoxy-4,5,7,10-tetramethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CC1=C(N=C2C(=O)NC(=NC2=N1)N)[C@@H](C)NC3=CC=C(C=C3)C[C@@H]([C@@H]([C@@H](CO[C@@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)O)O)O)O)O)O is a methanopterin derivative in which the methanopterin is modified by amide formation with L-glutamic acid. It is a conjugate acid of a sarcinapterin(4-).
The molecule CCCCCCCCCCCCCCCC(=O)OC[C@@H](NC(=O)C(Cl)Cl)[C@H](O)c1ccc(cc1)[N+]([O-])=O CCCCCCCCCCCCCCCC(=O)OC[C@@H](NC(=O)C(Cl)Cl)[C@H](O)c1ccc(cc1)[N+]([O-])=O is chloramphenicol palmitate. Its functional parent is chloramphenicol . It is also related to or classified as hexadecanoate ester  .
The molecule O=[Cr](=O)=O O=[Cr](=O)=O is A chromium oxide composed of a single chromium bound (oxidation state +6) to three oxygens; the acidic anhydride of chromic acid. It is also related to or classified as chromium oxide .
The molecule C[C@@H]1CN(C(=O)C2=C(C=CC(=C2)NC(=O)CCN3CCOCC3)O[C@@H]1CN(C)CC4=CC=NC=C4)[C@H](C)CO C[C@@H]1CN(C(=O)C2=C(C=CC(=C2)NC(=O)CCN3CCOCC3)O[C@@H]1CN(C)CC4=CC=NC=C4)[C@H](C)CO is N-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-morpholinyl)propanamide. Its functional parent is beta-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule CCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)[C@@H](/C=C/CCCCCCCCCC(C)C)O is an N-acyl-1-O-beta-D-glucosyl-15-methylhexadecasphing-4-enine in which the acyl group has 27 carbons and 0 double bonds. It derives from a 15-methylhexadecasphing-4-enine.
The molecule COc1cc(-c2ccccc2)c(OC)c(O)c1-c1ccc(O)c(O)c1 COc1cc(-c2ccccc2)c(OC)c(O)c1-c1ccc(O)c(O)c1 is A para-terphenyl that is the 4''-dehydro derivative of 3-hydroxyterphenyllin. It has been isolated from Aspergillus taichungensis. It has the role of antineoplastic agent . It has the role of Aspergillus metabolite . Its functional parent is 3-hydroxyterphenyllin . It is also related to or classified as catechols  . It is also related to or classified as dimethoxybenzene , para-terphenyl .
The molecule O(C1[C@@H](O)[C@H](O)C(O[C@H]1OC2=C(OC=3C(C2=O)=C(O)C=C(O)C3)C4=CC=C(OC)C=C4)CO)[C@@H]5OC([C@H](O)C(O)[C@@H]5O)C O(C1[C@@H](O)[C@H](O)C(O[C@H]1OC2=C(OC=3C(C2=O)=C(O)C=C(O)C3)C4=CC=C(OC)C=C4)CO)[C@@H]5OC([C@H](O)C(O)[C@@H]5O)C is Kaempferol 4'-methyl ether 3-neohesperidoside. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule [H][C@]12C[C@H]3O[C@H](O)[C@]4([H])[C@](C)(COC(C)=O)[C@@H](C[C@@]5([H])OC(=O)[C@](C1)(C(=O)C2=C)[C@]3([H])[C@@]45CO)OC(C)=O [H][C@]12C[C@H]3O[C@H](O)[C@]4([H])[C@](C)(COC(C)=O)[C@@H](C[C@@]5([H])OC(=O)[C@](C1)(C(=O)C2=C)[C@]3([H])[C@@]45CO)OC(C)=O is 3alpha-Acetoxymaoesin A, (rel)-. It has the role of metabolite . It is also related to or classified as delta-lactone  .
The molecule CC(=C)C1CCC(C(=O)C1)(C)O is a limonene monoterpenoid that consists of cyclohexanone bearing hydroxy and methyl substituents at position 2 as well as an isopropenyl substituent at position 5. It is a limonene monoterpenoid and a tertiary alpha-hydroxy ketone.
The molecule COC(=O)C1CCC(N1)CO is the methyl ester of 5-(hydroxymethyl)pyrrolidine-2-carboxylic acid. It has a role as a metabolite. It is a member of pyrrolidines, a primary alcohol, a methyl ester, an alpha-amino acid ester, a non-proteinogenic amino acid derivative and a secondary amino compound.
The molecule CCCCCCCCCC1=CC=C(C=C1)O is a member of the class of phenols that is phenol which is para-substituted with a nonyl group. It has a role as an environmental contaminant.
The molecule CCCCCCCC(CC(=O)O)O is a medium-chain fatty acid that is decanoic acid substituted at position 3 by a hydroxy group. It has a role as an antimitotic and an Escherichia coli metabolite. It is a 3-hydroxy fatty acid and a medium-chain fatty acid. It derives from a decanoic acid. It is a conjugate acid of a 3-hydroxydecanoate.
The molecule COC1=C(C2=C(C=C1)OC3=CC(=CC(=C3C2=O)O)OC)OC is a member of the class of xanthones that is xanthone substituted by a hydroxy group at position 1 and methoxy groups at positions 1, 2 and 6. It has been isolated from Centaurium erythraea and Gentiana verna. It has a role as a plant metabolite. It is a member of xanthones, an aromatic ether and a member of phenols.
The molecule S([C@@]1(N(C(=O)[C@@](OC)(CC=2C3=C(C=CC=C3)NC2)NC1=O)C)CO)C S([C@@]1(N(C(=O)[C@@](OC)(CC=2C3=C(C=CC=C3)NC2)NC1=O)C)CO)C is Chetocochliodin B. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule C=1(C=C(C(=C(C1C)O)C=O)CC(/C=C/C(=C/[C@H](CC)C)/C)=O)O C=1(C=C(C(=C(C1C)O)C=O)CC(/C=C/C(=C/[C@H](CC)C)/C)=O)O is 6-[(3E,5E,7S)-5,7-dimethyl-2-oxonona-3,5-dienyl]-2,4-dihydroxy-3-methylbenzaldehyde. It is also related to or classified as polyketide  . It is also related to or classified as dihydroxybenzaldehyde  .
The molecule C[C@@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)CC3=CC=CC=C3)C(=O)N(C[C@H]1OC)C)C)C C[C@@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)CC3=CC=CC=C3)C(=O)N(C[C@H]1OC)C)C)C is N-[(4R,7R,8S)-8-methoxy-4,5,7,10-tetramethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-phenylacetamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .