anonymous041/ChEBI-Augmented huggingface dataset:
The molecule N12C(=CC(=NC1=CC=N2)COC)N(C[C@@H](CO)O)C N12C(=CC(=NC1=CC=N2)COC)N(C[C@@H](CO)O)C is A pyrazolopyrimidine that is pyrazolo[1,5-a]pyrimidine carrying a methoxymethyl substituent at C-5 and a [(2S)-2,3-dihydroxypropyl](methyl)amino group at C-7. One of a series of mucosal-associated invariant T (MAIT) cell agonists. It has the role of MAIT cell agonist . It is also related to or classified as pyrazolopyrimidine .
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)CCC(=O)[O-])O is an acyl-CoA oxoanion that is the pentaanion of succinyl-CoA, arising from deprotonation of the phosphate, diphosphate and carboxylic acid OH groups. It has a role as a human metabolite and a Saccharomyces cerevisiae metabolite. It is a conjugate base of a succinyl-CoA.
The molecule OC1Oc2cc(O)ccc2C(=O)C1c1ccc(O)cc1 OC1Oc2cc(O)ccc2C(=O)C1c1ccc(O)cc1 is A hydroxyisoflavanone that is isoflavanone with hydroxy substituents at positions 2, 7 and 4'. It is also related to or classified as lactol  . It is also related to or classified as hydroxyisoflavanone .
The molecule C[C@@H]1[C@H](C[C@H]2C[C@@]13C=C(C(=O)C=C3O2)OC)C4=CC5=C(C=C4)OCO5 is a neolignan with formula C20H20O5 that is isolated from Magnolia sprengeri and Piper wallichii. It has a role as a plant metabolite. It is a bridged compound, a member of benzodioxoles, an organic heterotricyclic compound, an enol ether, an enone, a neolignan, a cyclic ketone and a ring assembly.
The molecule C/C/1=C\\C[C@@H](/C(=C/C[C@H]([C@]2([C@@H](O2)[C@@H]3[C@@H]([C@@H](C1)O)C(=C)C(=O)O3)C)OC(=O)C)/C)OC(=O)C is a cembrane diterpenoid with cytotoxic activity isolated from the soft coral Lobophytum michaelae. It has a role as an antineoplastic agent and a coral metabolite. It is a gamma-lactone, an acetate ester, a cembrane diterpenoid, an epoxide, a macrocycle and a secondary alcohol.
The molecule BrC=1C=C(C(OC(=O)C=2OC=CC2)=CC1)C(=O)/C=C/C=3C(OC)=CC=CC3 BrC=1C=C(C(OC(=O)C=2OC=CC2)=CC1)C(=O)/C=C/C=3C(OC)=CC=CC3 is 4-Bromo-2-[3-(2-methoxyphenyl)acryloyl]phenyl 2-furoate. It has the role of anticoronaviral agent . It is also related to or classified as aromatic compound .
The molecule O1[C@@H]([C@@H](O)C(O)C(O)[C@H]1OC2=C(OC3=C(C2=O)C(O)=C(OC)C(O)=C3)C4=CC(OC)=C(O)C=C4)CO O1[C@@H]([C@@H](O)C(O)C(O)[C@H]1OC2=C(OC3=C(C2=O)C(O)=C(OC)C(O)=C3)C4=CC(OC)=C(O)C=C4)CO is Spinacetin 3-glucoside. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule CSC[C@H]([C@H]([C@H](C=O)O)O)O is d-ribose with the hydroxy group substituted for a methylthio group at position C-5. It has a role as a metabolite. It derives from a D-ribose.
The molecule CC1=C(N2C(=O)C3=C(N(C2=N1)C)N(C=N3)[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)O)CC[C@@H](C(=O)OC)N is a ribonucleoside 5'-monophosphate having methyl (2S)-2-amino-4-(6-methyl-9-oxo-4,9-dihydro-3H-imidazo[1,2-a]purin-7-yl)butanoate as the nucleobase. It is a ribonucleoside 5'-monophosphate and a methyl ester. It derives from a guanosine.
The molecule C1CCN[C@H](C1)[C@H](C2=CC(=NC3=C2C=CC=C3C(F)(F)F)C(F)(F)F)O is an optically active form of [2,8-bis(trifluoromethyl)quinolin-4-yl]-(2-piperidyl)methanol having (-)-(11S,2'R)-erythro-configuration. An antimalarial agent, used in racemic form, which acts as a blood schizonticide; its mechanism of action is unknown. It has a role as an antimalarial. It is an enantiomer of a (+)-(11R,2'S)-erythro-mefloquine.
The molecule C[C@@H]1CN(C(=O)CCCN2C(=CN=N2)CO[C@@H]1CN(C)C(=O)CCC(F)(F)F)[C@@H](C)CO C[C@@H]1CN(C(=O)CCCN2C(=CN=N2)CO[C@@H]1CN(C)C(=O)CCC(F)(F)F)[C@@H](C)CO is 4,4,4-trifluoro-N-[[(8R,9S)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-9-yl]methyl]-N-methylbutanamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CCOC(=O)C=CC(=O)OCC(=O)NC1=NC=C(C=C1)Cl CCOC(=O)C=CC(=O)OCC(=O)NC1=NC=C(C=C1)Cl is 2-butenedioic acid O4-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] ester O1-ethyl ester. It is also related to or classified as aromatic amide .
The molecule CC(C)C1=CC(=CC(=C1O)C(C)C)/C=C(\\C#N)/C(=O)NCCCC2=CC=CC=C2 is a monocarboxylic acid amide obtained by formal condensation of the carboxy group of (2E)-2-cyano-3-[4-hydroxy-3,5-di(propan-2-yl)phenyl]prop-2-enoic acid with the amino group of 3-phenylpropylamine. It has a role as a vascular endothelial growth factor receptor antagonist. It is an enamide, a member of phenols, a nitrile, a monocarboxylic acid amide and a secondary carboxamide.
The molecule CN1[C@H]2CC[C@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4=CC(=CC=C4)Cl)CC(=O)OC CN1[C@H]2CC[C@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4=CC(=CC=C4)Cl)CC(=O)OC is 2-[(2S,4aS,12aS)-8-[[(3-chlorophenyl)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid methyl ester. It is also related to or classified as organohalogen compound  . It is also related to or classified as carbonyl compound .
The molecule C(C(=O)O)OC1=NC(=C(C(=C1Cl)N)Cl)F is an aminopyridine that is pyridin-4-amine substituted by chloro groups at positions 3 and 5, a fluoro group at position 6 and a carboxymethoxy group at position 2. It has a role as a xenobiotic, an environmental contaminant and a herbicide. It is an aminopyridine, an organochlorine compound, an aromatic ether, a monocarboxylic acid and an organofluorine compound.
The molecule COC1=C(C=CC(=C1)CC(=O)[O-])O is a hydroxy monocarboxylic acid anion which is obtained by deprotonation of the carboxy group of homovanillic acid. It has a role as a human metabolite and a mouse metabolite. It is a conjugate base of a homovanillic acid.
The molecule CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\Cc1cc(O)cc2c1OC(=O)C2=C(C)C CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\Cc1cc(O)cc2c1OC(=O)C2=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 the role of metabolite . It has the role of anti-HIV-1 agent . It is also related to or classified as phenols  . It is also related to or classified as gamma-lactone  . It is also related to or classified as 1-benzofurans .
The molecule CC(\C=C\C=C(/C)C(O)=O)=C/C=C/C=C(C)/C=C/C=C(\C)C(=O)O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O CC(\C=C\C=C(/C)C(O)=O)=C/C=C/C=C(C)/C=C/C=C(\C)C(=O)O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O is A dicarboxylic acid monoester resulting from the formal condensation of one of the carboxylic acid groups of crocetin with the anomeric hydroxy group of beta-D-gentiobiose. Its functional parent is gentiobiose . Its functional parent is crocetin . It is a conjugate acid of beta-D-gentiobiosyl crocetin(1-) . It is also related to or classified as glycoside  . It is also related to or classified as dicarboxylic acid monoester , disaccharide derivative .
The molecule [O-]C(=O)CC(=O)Nc1ccc(Cl)c(Cl)c1 [O-]C(=O)CC(=O)Nc1ccc(Cl)c(Cl)c1 is A monocarboxylic acid anion that is the conjugate base of N-(3,4-dichlorophenyl)malonamic acid arising from deprotonation of the carboxy group. Its functional parent is malonamate . It is also related to or classified as monocarboxylic acid anion  .
The molecule C(=O)([C@@H]([NH3+])C)N1[C@H](C(=O)[O-])CCC1 C(=O)([C@@H]([NH3+])C)N1[C@H](C(=O)[O-])CCC1 is A peptide zwitterion obtained by transfer of a proton from the carboxy to the amino terminus of Ala-Pro. It is also related to or classified as dipeptide zwitterion  .
The molecule CC/C=C\\C/C=C\\C/C=C\\CCCCCCCC(=O)NCC(=O)O is an N-acylglycine in which the acyl group is specified as (9Z,12Z,15Z)-octadecatrienoyl (linolenoyl). It is a N-acylglycine and a fatty amide. It derives from an alpha-linolenic acid. It is a conjugate acid of a N-(9Z,12Z,15Z)-octadecatrienoylglycinate.
The molecule C\C(=C\CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C#N C\C(=C\CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C#N is A  cyanogenic glycoside that is (2Z)-2-methylbut-2-enenitrile attached to a beta-D-glucopyranosyloxy at position 4. Isolated from Rhodiola quadrifida, it exhibits anti-allergic activity. It has the role of metabolite . It has the role of anti-allergic agent . It is also related to or classified as beta-D-glucoside  .   It is also related to or classified as aliphatic nitrile  . It is also related to or classified as cyanogenic glycoside , monosaccharide derivative .
The molecule CC(\C=C\C=C(/C)C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)=C/C=C/C=C(C)/C=C/C=C(\C)C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O CC(\C=C\C=C(/C)C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)=C/C=C/C=C(C)/C=C/C=C(\C)C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O is A diester resulting from the formal condensation of each of the carboxylic acid groups of crocetin with an anomeric hydroxy group of beta-D-glucopyranose. Its functional parent is beta-D-glucose . Its functional parent is crocetin . It is also related to or classified as beta-D-glucoside  . It is also related to or classified as diester  .
The molecule CC(=CCC1=C(C(=CC(=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)O)CC(C(=C)C)O)O)C is a trihydroxyflavone that is flavone substituted by hydroxy groups at positions 5, 7 and 4', a 2-hydroxy-3-methylbut-3-en-1-yl group at position 3' and a prenyl group at position 5'. Isolated from Epimedium sagittatum, it exhibits inhibitory activity against platelet aggregation. It has a role as a metabolite and a platelet aggregation inhibitor. It is a trihydroxyflavone and a secondary alcohol.
The molecule CC(C)(COC(=O)c1ccc2OCOc2c1)CC1=C(O)C(=O)c2ccccc2C1=O CC(C)(COC(=O)c1ccc2OCOc2c1)CC1=C(O)C(=O)c2ccccc2C1=O is A carboxylic ester obtained by the formal condensation of 2-hydroxy-3-(3-hydroxy-2,2-dimethylpropyl)naphthalene-1,4-dione with 1,3-benzodioxole-5-carboxylic acid. Isolated from Rhinacanthus nasutus, it exhibits antiviral activity. It has the role of antiviral agent . It has the role of metabolite . It has the role of anti-allergic agent .  It is also related to or classified as carboxylic ester  . It is also related to or classified as enol  . It is also related to or classified as hydroxy-1,4-naphthoquinone , benzodioxoles .
The molecule CC(\C=C\C=C(/C)C([O-])=O)=C/C=C/C=C(C)/C=C/C=C(\C)C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O CC(\C=C\C=C(/C)C([O-])=O)=C/C=C/C=C(C)/C=C/C=C(\C)C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O is A carboxylic acid anion resulting from the removal of a proton from the carboxylic acid group of beta-D-glucosyl crocetin. The major species at pH 7.3. It is also related to or classified as carboxylic acid anion  .
The molecule C[C@@H](CCC=C(C)C)[C@H]1CCC(=C)C=C1 is a sesquiterpene that is cyclohexene in which the hydrogens at position 6 are replaced by a methylidene group and in which the pro-R hydrogen at position 3 is replaced by a (2S)-6-methylhept-5-en-2-yl group. It has a role as a plant metabolite. It is a sesquiterpene and an alicyclic compound.
The molecule CCCCCCCCCC(=O)CC1=CC(=C(C(=C1C=O)O)C)O is a dihydroxybenzaldehyde that is 2,4-dihydroxybenzaldehyde in which the hydrogens at positions 3 and 6 have been replaced by a methyl and 2-oxoundecyl groups, respectively. It has a role as an Aspergillus metabolite. It is a dihydroxybenzaldehyde and a ketone.
The molecule C\C=C(/C)CC\C=C(/C)C(=O)OCC(C)(C)CC1=C(O)C(=O)c2ccccc2C1=O C\C=C(/C)CC\C=C(/C)C(=O)OCC(C)(C)CC1=C(O)C(=O)c2ccccc2C1=O is A naphthoquinone isolated from Rhinacanthus nasutus and has been shown to exhibit antiviral activity. It has the role of antiviral agent . It has the role of metabolite . It has the role of antineoplastic agent .  It is also related to or classified as enol  . It is also related to or classified as enoate ester  . It is also related to or classified as carboxylic ester  . It is also related to or classified as hydroxy-1,4-naphthoquinone .
The molecule CC(\C=C\C=C(/C)C(O)=O)=C/C=C/C=C(C)/C=C/C=C(\C)C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O CC(\C=C\C=C(/C)C(O)=O)=C/C=C/C=C(C)/C=C/C=C(\C)C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O is A dicarboxylic acid monoester resulting from the formal condensation of one of the carboxylic acid groups of crocetin with the anomeric hydroxy group of beta-D-glucopyranose. Its functional parent is beta-D-glucose . Its functional parent is crocetin . It is a conjugate acid of beta-D-glucosyl crocetin(1-) . It is also related to or classified as beta-D-glucoside  . It is also related to or classified as dicarboxylic acid monoester .
The molecule C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=C3C=CC(=N4)C(=O)O is an aza-steroid that is 17-oxoestra-1,3,5(10)-triene-3-carboxylic acid in which the carbon at position 4 in the A-ring has been replaced by a nitrogen. An abiotic metabolite in the 4,5-seco pathway of aerobic estrogen degradation by the bacterium Sphingomonas sp. strain KC8. It has a role as a bacterial metabolite. It is an aza-steroid, a steroid acid and a 17-oxo steroid. It is a conjugate acid of a pyridinestrone-3-carboxylate.
The molecule CC1(C)Oc2cc3oc4c(O)c5OC(C)(C)C=Cc5cc4c(=O)c3c(O)c2C=C1 CC1(C)Oc2cc3oc4c(O)c5OC(C)(C)C=Cc5cc4c(=O)c3c(O)c2C=C1 is an organic heteropentacyclic compound that is 2H,6H,10H-dipyrano[3,2-b:2',3'-i]xanthene substituted by hydroxy groups at positions 5 and 12, geminal methyl groups at positions 2 and 10 and an oxo group at position 6. Isolated from Calophyllum blancoi it exhibits antiviral activity. It has the role of antiviral agent . It has the role of metabolite . It is also related to or classified as polyphenol , cyclic ether , organic heteropentacyclic compound , cyclic ketone .
The molecule C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)O[C@H](CO)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2OC(=C[C@H](O)[C@H]2O)C(O)=O)[C@H](O)[C@H]1O C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)O[C@H](CO)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2OC(=C[C@H](O)[C@H]2O)C(O)=O)[C@H](O)[C@H]1O is A tetrasaccharide consisting of beta-D-Delta(4)-glucopyranuronic acid, beta-D-glucopyranosyl, alpha-L-rhamnopyranosyl and beta-D-glucopyranosyl residues, joined in sequence by (1->4), (1->4) and (1->3)-glycosidic bonds, respectively. It is a conjugate acid of beta-D-Delta(4)-GlcpA-(1->4)-beta-D-Glcp-(1->4)-alpha-L-Rhap-(1->3)-beta-D-Glcp(1-) . It is also related to or classified as beta-D-Delta(4)-GlcpA-(1->4)-beta-D-Glcp-(1->4)-alpha-L-Rhap-(1->3)-D-Glcp  .
The molecule O[C@H]1[C@@H](O)[C@H](Nc2ccccc2C([O-])=O)O[C@@H]1COP([O-])([O-])=O O[C@H]1[C@@H](O)[C@H](Nc2ccccc2C([O-])=O)O[C@@H]1COP([O-])([O-])=O is an organophosphate oxoanion resulting from deprotonation of the phosphate and carboxy groups of N-(5-phospho-beta-D-ribosyl)anthranilic acid. It has the role of Saccharomyces cerevisiae metabolite . Its functional parent is anthranilate . It is also related to or classified as organophosphate oxoanion .
The molecule CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@H]2[C@H]([C@H](O[C@H]([C@@H]2O)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)NC(=O)C)O[C@H]4[C@H]([C@H](O[C@H]([C@@H]4O)O[C@@H]5[C@H](OC([C@@H]([C@H]5O)NC(=O)C)O)CO)CO)O)CO)CO)O)CO)O[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)CO)O)O)O)O is a linear amino hexasaccharide made up from alternating galactose and glucosamine units linked by alternating beta-(1->4)- an d beta-(1->3)-linkages. It is an amino hexasaccharide and a glucosamine oligosaccharide.
The molecule [H][C@]1(OC(=O)[C@H](C)OC(=O)[C@@H](NC(=O)c2cccc(NC=O)c2O)[C@@H](C)OC(=O)[C@@H](OC(=O)C(C)(C)C(=O)[C@H](CC(C)C)NC1=O)C(C)C)[C@@H](C)CC [H][C@]1(OC(=O)[C@H](C)OC(=O)[C@@H](NC(=O)c2cccc(NC=O)c2O)[C@@H](C)OC(=O)[C@@H](OC(=O)C(C)(C)C(=O)[C@H](CC(C)C)NC1=O)C(C)C)[C@@H](C)CC is an 18-membered cyclodepsipeptide having a 3-formamido-2-hydroxybenzoyl group attached to the amino terminus. It is isolated from an Alaskan Kitasatospora sp. and exhibits antineoplastic activity. 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 cyclodepsipeptide  . It is also related to or classified as benzamides , formamides .
The molecule [H][C@@]12CC[C@]3(C1)[C@H](C)CC[C@]3([H])C(C)(C)C2=C [H][C@@]12CC[C@]3(C1)[C@H](C)CC[C@]3([H])C(C)(C)C2=C is A tricyclic hydrocarbon and sesquiterpene that is octahydro-1H-3a,6-methanoazulene which is substituted by a methylidene group at position 7 and by methyl groups at positions 3, 8, and 8. It is also related to or classified as sesquiterpene  . It is also related to or classified as tricyclic hydrocarbon .
The molecule [H]C(=O)[C@H](NS(O)(=O)=O)[C@@H](O)[C@H](O)[C@H](O)COS(O)(=O)=O [H]C(=O)[C@H](NS(O)(=O)=O)[C@@H](O)[C@H](O)[C@H](O)COS(O)(=O)=O is 2-N,6-O-disulfo-D-glucosamine. It is a conjugate acid of 2-N,6-O-disulfonato-D-glucosamine(2-) . It is also related to or classified as N-sulfoglucosamine  . It is also related to or classified as glucosamine sulfate .
The molecule C(=O)(CNC(=O)C[NH3+])N[C@H](C(=O)[O-])[C@H](CC)C C(=O)(CNC(=O)C[NH3+])N[C@H](C(=O)[O-])[C@H](CC)C is A tripeptide zwitterion resulting from the transfer of a proton from the carboxy group to the amino group of Gly-Gly-Ile. Major microspecies at pH 7.3. It is also related to or classified as tripeptide zwitterion  .
The molecule C1=CC(=O)NC=C1O is a dihydroxypyridine that is pyridine substituted by hydroxy groups at positions 2 and 5. It has a role as a mouse metabolite.
The molecule COc1cc(OC)c2nc3occc3c(OC)c2c1 COc1cc(OC)c2nc3occc3c(OC)c2c1 is Maculosidine. It is also related to or classified as organic heterotricyclic compound , organonitrogen heterocyclic compound , oxacycle .
The molecule C[C@H](CCC=C(C)C)C1=CCC(C)=CC1 C[C@H](CCC=C(C)C)C1=CCC(C)=CC1 is A beta-curcumene that has R configuration at the chiral centre. It has the role of plant metabolite . It is also related to or classified as beta-curcumene  .
The molecule C=1C=C(C=CC1C[C@](O)(C([O-])=O)[C@H](O)C([O-])=O)O C=1C=C(C=CC1C[C@](O)(C([O-])=O)[C@H](O)C([O-])=O)O is major microspecies at pH 7.3. Its functional parent is 3-phenylpropionate .  It is also related to or classified as carboxylic acid anion  . It is also related to or classified as benzenes .
The molecule [C@]12([C@@]([C@](OC1)(C3=CC(=C(C=C3)O)OC)O)(CO[C@@H]2C4=CC(=C(C=C4)O)OC)[H])[H] [C@]12([C@@]([C@](OC1)(C3=CC(=C(C=C3)O)OC)O)(CO[C@@H]2C4=CC(=C(C=C4)O)OC)[H])[H] is A member of the class of pinoresinols that is (+)-pinoresinol carrying a hydroxy group at position 1S. It is also related to or classified as pinoresinol .
The molecule CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)N[C@H]3[C@@H]4N(C3=O)[C@H](C(S4)(C)C)C(=O)O is a semisynthetic penicillin antibiotic carrying a 3-(2-chlorophenyl)-5-methylisoxazole-4-carboxamido group at position 6. It has a role as an antibacterial agent and an antibacterial drug. It is a semisynthetic derivative, a penicillin allergen and a penicillin. It derives from an oxacillin. It is a conjugate acid of a cloxacillin(1-).
The molecule CC1CCCCOC1=O CC1CCCCOC1=O is A epsilon-lactone that is  hexano-6-lactone substituted by a methyl group at position 3. Its functional parent is hexano-6-lactone . It is also related to or classified as epsilon-lactone .
The molecule CC(CCC=C(C)C)C1=CCC(C)=CC1 CC(CCC=C(C)C)C1=CCC(C)=CC1 is A sesquiterpene that is alpha-curcumene in which the p-tolyl group has been reduced to a 4-methylcyclohexa-1,4-dien-1-yl group. It is also related to or classified as sesquiterpene  . It is also related to or classified as cyclohexadiene  .
The molecule NCCCCCC(=O)NCCCCCC([O-])=O NCCCCCC(=O)NCCCCCC([O-])=O is N-(6-aminohexanoyl)-6-aminohexanoate. Its functional parent is hexanoate . It is also related to or classified as carboxylic acid anion  .
The molecule [H]C(=CC(=O)NCCCCNC(N)=N)C1=CC=C(O)C=C1 [H]C(=CC(=O)NCCCCNC(N)=N)C1=CC=C(O)C=C1 is A member of the class of cinnamamides obtained by formal condensation of the carboxy group of 4-coumaric acid with the primary amino group of agmatine. Its functional parent is agmatine . Its functional parent is 4-coumaric acid .   It is also related to or classified as phenols  . It is also related to or classified as cinnamamides , guanidines .
The molecule CC(C)C(=O)C1=C2C(=C3C(=C1O)CC(O3)C(C)(C)O)C(=CC(=O)O2)C4=CC=CC=C4 is a furanocoumarin that is 2,3-dihydro-7H-furo[2,3-f]chromen-7-one substituted by a hydroxy group at position 4, a 2-hydroxypropan-2-yl group at position 2, a 2-methylpropanoyl group at position 5 and a phenyl group at position 9. Isolated from the bark of Ochrocarpos punctatus, it exhibits cytotoxicity against the A2780 ovarian cancer cell line. It has a role as a metabolite and an antineoplastic agent. It is a furanocoumarin, a member of phenols and a tertiary alcohol.
The molecule [H][C@]1(OC(=O)[C@H](C)OC(=O)[C@@H](NC(=O)c2cccc(NC=O)c2O)[C@@H](C)OC(=O)[C@H](CC(C)C)OC(=O)C(C)(C)C(=O)[C@H](CC(C)C)NC1=O)C(C)CC [H][C@]1(OC(=O)[C@H](C)OC(=O)[C@@H](NC(=O)c2cccc(NC=O)c2O)[C@@H](C)OC(=O)[C@H](CC(C)C)OC(=O)C(C)(C)C(=O)[C@H](CC(C)C)NC1=O)C(C)CC is A cyclodepsipeptide isolated from Streptomyces and Kitasatospora and has been shown to exhibit antimicrobial and antineoplastic activity. It has the role of metabolite . It has the role of antimicrobial agent . It has the role of antineoplastic agent .   It is also related to or classified as phenols  . It is also related to or classified as cyclodepsipeptide  . It is also related to or classified as benzamides , formamides .
The molecule CC(C)=CCC[C@]1(C)[C@H]2CC=C(C)[C@@H]1C2 CC(C)=CCC[C@]1(C)[C@H]2CC=C(C)[C@@H]1C2 is an alpha-bergamotene that has (1S,5S,6R)-configuration. It is also related to or classified as alpha-bergamotene  .
The molecule Nc1nc2NC3OC4COP([O-])(=O)O[Mg]OP([O-])(=O)OCC5OC6Nc7nc(N)[nH]c(=O)c7NC6C6=C5S[W]5(SC4=C(S5)C3Nc2c(=O)[nH]1)S6 Nc1nc2NC3OC4COP([O-])(=O)O[Mg]OP([O-])(=O)OCC5OC6Nc7nc(N)[nH]c(=O)c7NC6C6=C5S[W]5(SC4=C(S5)C3Nc2c(=O)[nH]1)S6 is bis(molybdopterin)tungsten cofactor. It has the role of cofactor . It is also related to or classified as W-molybdopterin cofactor .
The molecule C[C@@H](OP(O)(O)=O)[C@H](NC(=O)CCCCCCS)C(O)=O C[C@@H](OP(O)(O)=O)[C@H](NC(=O)CCCCCCS)C(O)=O is coenzyme B. It has the role of coenzyme . It is a conjugate acid of coenzyme B(3-) . It is also related to or classified as L-threonine derivative .
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)OC)[C@H](C)CO)C)CNC C[C@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC=C(C=C3)OC)[C@H](C)CO)C)CNC is 1-[(3S,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-(4-methoxyphenyl)urea. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C/C=C(\\C)/C1=CC(=C(C(=O)O1)C)OC is a member of the class of nectriapyrones that is pyran-2-one which is substituted at positions 3, 4, and 6 by methyl, methoxy, and but-2-en-2-yl groups, respectively in which the butenyl substituent has E configuration. A fungal metabolite that has been induced in the rice blast fungus Pyricularia oryzae by overexpression of a polyketide synthase gene (NEC1) and an O-methyltransferase gene (NEC2). It has a role as a fungal metabolite. It derives from a desmethylnectriapyrone.
The molecule C1(C2=C(O[C@@H](C1)C3=C(C=C(C=C3)O)O)C(=C(C=C2O)O)C[C@@H](CCC(=C)C)C(=C)C)=O C1(C2=C(O[C@@H](C1)C3=C(C=C(C=C3)O)O)C(=C(C=C2O)O)C[C@@H](CCC(=C)C)C(=C)C)=O is A tetrahydroxyflavanone that is (2S)-flavanone substituted by hydroxy groups at positions 5, 7, 2' and 4' and a lavandulyl group at position 8. Isolated from Physena madagascariensis, it exhibits antibacterial activity. It has the role of metabolite . It has the role of antibacterial agent . It is also related to or classified as 4'-hydroxyflavanones  . It is also related to or classified as tetrahydroxyflavanone .
The molecule CC1=CCC2C3C1C2(C)CCCC3(C)C CC1=CCC2C3C1C2(C)CCCC3(C)C is A bridged compound and sesquiterpene that is tricyclo[5.4.0.0(2,8)]undecane that is substituted by methyl groups at the 2, 6, 6, and 9 positions and has a double bond between positions 9 and 10. It is also related to or classified as sesquiterpene  . It is also related to or classified as polycyclic olefin , bridged compound .