anonymous041/ChEBI-Augmented huggingface dataset:
The molecule C[N+](C)(C)CC(CC(=O)[O-])OC(=O)CCCCCCCCC(=O)O is an O-acylcarnitine having sebacoyl as the acyl substituent. It has a role as a metabolite. It is an O-acylcarnitine, a carboxylic ester and an ammonium betaine. It derives from a carnitine.
The molecule CC1=CC=C(CC1)[C@]2(CCCC2(C)C)C is a sesquiterpene that consists of cyclohexa-1,3-diene bearing a methyl substituent at position 1 and an (S)-1,2,2-trimethylcyclopent-1-yl group at position 4. It has a role as a plant metabolite. It is a sesquiterpene and an alicyclic compound.
The molecule CC(C)[C@@H]1CC[C@@](C)(C=C)C(=C(C)C)C1=O CC(C)[C@@H]1CC[C@@](C)(C=C)C(=C(C)C)C1=O is (-)-Isoshyobunone. It has the role of metabolite . It is also related to or classified as sesquiterpenoid .
The molecule CC(O)C(O)C1CNc2nc(N)[nH]c(=O)c2N1 CC(O)C(O)C1CNc2nc(N)[nH]c(=O)c2N1 is 5,6,7,8-tetrahydrobiopterin. It has the role of coenzyme . It has the role of prosthetic group . It has the role of nutraceutical . It has the role of human metabolite .  It is also related to or classified as diol  . It is also related to or classified as biopterins , tetrahydropterin .
The molecule [C@@H]1([C@H]([C@H](O[C@@H]([C@@H]1O)OP(=O)(O)O)C(=O)O)O)O is an uronic acid phosphate that is alpha-D-galacturonic acid carrying a phosphate group at position 1. It has a role as a plant metabolite. It derives from an alpha-D-galacturonic acid. It is a conjugate acid of a 1-phosphonato-alpha-D-galacturonate(3-).
The molecule CCNC1=CC2=C(C=C1C)C(=C3C=C(C(=[NH+]CC)C=C3O2)C)CCC(=O)O.[O-]Cl(=O)(=O)=O is a monocarboxylic acid, a xanthene dye and an organic perchlorate salt. It has a role as a fluorochrome. It contains an ATTO 520-2(1+).
The molecule CC(C(=O)O)C(=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 member of the class of malonyl-CoAs that is malonyl-CoA carrying a methyl group on the malony side chain. It has a role as a human metabolite. It derives from a methylmalonic acid. It is a conjugate acid of a methylmalonyl-CoA(5-).
The molecule C1=CC=C2C=C(C=CC2=C1)NC(=O)[C@H](CC(=O)[O-])N is a beta-amino-acid anion obtained by deprotonation of the side-chain carboxy group of N-(alpha-L-aspartyl)-2-naphthylamine. It is a conjugate base of a N-(alpha-L-aspartyl)-2-naphthylamine.
The molecule C1C2=CC=CC=C2C(=O)O1 is a gamma-lactone that is 1,3-dihydro-2-benzofuran in which the hydrogens at position 1 are replaced by an oxo group. It is a gamma-lactone and a member of 2-benzofurans.
The molecule CC(C)[C@@H]1CC\C(C)=C\CCC(=C)CC1=O CC(C)[C@@H]1CC\C(C)=C\CCC(=C)CC1=O is (+)-Preisocalamenediol. It has the role of metabolite . It is also related to or classified as germacrane sesquiterpenoid .
The molecule CCCCCC(=O)/C=C/CO is a medium-chain fatty alcohol that is (E)-non-2-en-1-ol which is substituted with an oxo group at position 4. It has a role as a mouse metabolite. It is a medium-chain primary fatty alcohol, an enone and a primary allylic alcohol.
The molecule C(C(=O)[O-])[NH2+]CP(=O)(O)[O-] is an organophosphate oxoanion obtained by the deprotonation of the carboxy and one of the phosphate OH groups as well as protonation of the amino group of glyphosate. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.). It is a conjugate base of a glyphosate. It is a conjugate acid of a glyphosate(2-).
The molecule CCCCCCCCCCCCCCCC(=O)OC[C@@H](COP(=O)(O)OC1[C@@H]([C@H](C([C@H]([C@H]1O[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)O)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)OC(=O)CCCCCCCCCCCCCCC is a phosphatidylinositol mannoside having two alpha-D-mannosyl residues attached at the 2- and 6-positions of the inositol and a 1,2-di-O-hexadecanoyl-sn-glycero-3-phosphono group at the 1-position. It has a role as an epitope.
The molecule C[C@@H]1C[C@@](C(=O)O[C@@H]2CCN(C/C=C(\\C2=O)/COC(=O)[C@]1(C)O)C)([C@@H](C)Cl)O is a pyrrolizine alkaloid that is produced by a hybrid species of Jacobaea. It has a role as a Jacobaea metabolite. It is a diol, an enone, an organic heterobicyclic compound, a tertiary amino compound, an organochlorine compound, a pyrrolizine alkaloid and a macrocyclic lactone.
The molecule CCO[C@@H](CC1=CC=C(C=C1)O)C2=CC(=C(C(=C2)OC)O)O is a diphenylethane that is 1,2-dihydrostilbene substituted by hydroxy groups at positions 3, 4 and 4', a methoxy group at position 5 and an ethoxy group at alpha-position (the S stereoisomer). It is isolated from the stems of Dendrobium candidum and exhibits antioxidant activity. It has a role as a metabolite and a radical scavenger. It is a member of catechols, a diphenylethane and a member of methoxybenzenes. It derives from a hydride of a 1,2-dihydrostilbene.
The molecule C[C@@H]1O[C@@H](Oc2cc(O)c3c(c2)oc(-c2ccc(O)cc2)c(O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)c3=O)[C@H](O)[C@H](O)[C@H]1O C[C@@H]1O[C@@H](Oc2cc(O)c3c(c2)oc(-c2ccc(O)cc2)c(O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)c3=O)[C@H](O)[C@H](O)[C@H]1O is A glycosyloxyflavone that is kaempferol attached to  alpha-L-rhamnopyranosyl residues at positions 3 and 7 respectively via glycosidic linkages. It has been isolated from the aerial parts of Vicia faba and Lotus edulis. It has the role of antidepressant . It has the role of hypoglycemic agent . It has the role of antineoplastic agent . It has the role of bone density conservation agent . It has the role of immunomodulator . It has the role of anti-inflammatory agent . It has the role of apoptosis inducer . It has the role of plant metabolite . Its functional parent is kaempferol .  It is also related to or classified as alpha-L-rhamnoside  .  It is also related to or classified as glycosyloxyflavone  . It is also related to or classified as polyphenol , dihydroxyflavone , monosaccharide derivative .
The molecule [H][C@@]1(CC[C@@]2([H])C3=CC[C@@]4([H])[C@@](C)(CO)[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)C [H][C@@]1(CC[C@@]2([H])C3=CC[C@@]4([H])[C@@](C)(CO)[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)C is 4beta-(hydroxymethyl)-4alpha-methyl-5alpha-cholest-7-en-3beta-ol. It is also related to or classified as 3beta-hydroxy-4beta-hydroxymethyl-4alpha-methylsteroid  . It is also related to or classified as 3beta-hydroxy steroid  .
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)CO)O)O is a homoflavonoid glycoside that is ophioglonol attached to a beta-D-glucopyranosyl residue at position 7 via a glycosidic linkage. It has been isolated from Ophioglossum pedunculosum. It has a role as a metabolite and a plant metabolite. It is a beta-D-glucoside, a homoflavonoid glycoside, a hydroxy homoflavonoid and a monosaccharide derivative. It derives from an ophioglonol.
The molecule O1C2=C(C(OC)=CC(OCC=C(C)C)=C2OC)C(=O)C(OC)=C1C3=CC(OC)=C(O)C=C3 O1C2=C(C(OC)=CC(OCC=C(C)C)=C2OC)C(=O)C(OC)=C1C3=CC(OC)=C(O)C=C3 is 4'-Hydroxy-3,5,8,3'-tetramethoxy-7-prenyloxyflavone. It is also related to or classified as ether  . It is also related to or classified as flavonoids .
The molecule CC(C)[C@@H]1CC[C@@](C)(C=C)[C@H](C(C)=C)C1=O CC(C)[C@@H]1CC[C@@](C)(C=C)[C@H](C(C)=C)C1=O is (+)-Shyobunone. It has the role of metabolite . It is also related to or classified as sesquiterpenoid .
The molecule C([C@@H]([C@@H]1[C@H]([C@@H](C(=O)O1)O)O)O)O is a galactonolactone that is 3,4-dihydroxydihydrofuran-2(3H)-one substituted by a 1,2-dihydroxyethyl group at position 5 (the 3S,4S,5R-isomer). It has a role as a plant metabolite. It derives from a L-galactonic acid.
The molecule [H][C@]1(Nc2c(N[C@H]1C)nc(N)[nH]c2=O)[C@@H](C)Nc1ccc(C[C@H](O)[C@H](O)[C@H](O)CO[C@H]2O[C@H](COP(O)(=O)O[C@@H](CCC(O)=O)C(O)=O)[C@@H](O)[C@H]2O)cc1 [H][C@]1(Nc2c(N[C@H]1C)nc(N)[nH]c2=O)[C@@H](C)Nc1ccc(C[C@H](O)[C@H](O)[C@H](O)CO[C@H]2O[C@H](COP(O)(=O)O[C@@H](CCC(O)=O)C(O)=O)[C@@H](O)[C@H]2O)cc1 is 5,6,7,8-tetrahydromethanopterin. It is a conjugate acid of 5,6,7,8-tetrahydromethanopterin(3-) . It is also related to or classified as tetrahydromethanopterin .
The molecule CNC1=CC=CC=C1C(=O)O[C@@H]2[C@H](O[C@H]([C@@H]2O)N3C=NC4=C3N=C(NC4=O)N)COP(=O)(O)OP(=O)(O)OP(=O)(O)O is a purine ribonucleoside 5'-triphosphate that is GTP substituted at the 3' position by an N-methylanthraniloyl group. It has a role as a fluorescent probe. It derives from a 3'-MANT-GDP.
The molecule COC1=C(C(=C(C=C1C2=CC=C(C=C2)O)O)C3=CC=C(C=C3)O)O is a para-terphenyl that is the 6'-O-desmethyl deriavtive of terphenyllin. Isolated from Penicillium chermesinum, it exhibits inhibitory activity against alpha-glucosidase. It has a role as an EC 3.2.1.20 (alpha-glucosidase) inhibitor and a Penicillium metabolite. It is a para-terphenyl, a member of resorcinols and a member of guaiacols. It derives from a terphenyllin.
The molecule C(C[C@@H](C(=O)[O-])[NH3+])[C@H](C[NH3+])OP(=O)([O-])[O-] is conjugate base of erythro-5-phosphonooxy-L-lysine in which the carboxy and phospho groups are anionic and both primary amino groups are cationic; major species at pH 7.3. It is a conjugate base of an erythro-5-phosphonooxy-L-lysine.
The molecule CC(C)CCCCCCCCCCCCCCCCCCCO is a long-chain primary fatty alcohol that is henicosan-1-ol substituted by a methyl group at position 20. It derives from a henicosan-1-ol. It derives from a hydride of a henicosane.
The molecule O1C(=C(OC)C(=O)C2=C1C(O)=C(O)C=C2)C3=CC(O)=C(O)C=C3 O1C(=C(OC)C(=O)C2=C1C(O)=C(O)C=C2)C3=CC(O)=C(O)C=C3 is Transilitin. It is also related to or classified as ether  . It is also related to or classified as flavonoids .
The molecule C[C@@H]1CCC2=C1C=C1C(C)(C)OO[C@@]1(O)C[C@H]2C C[C@@H]1CCC2=C1C=C1C(C)(C)OO[C@@]1(O)C[C@H]2C is (+)-Dioxosarcoguaiacol, (rel)-. It has the role of metabolite . It is also related to or classified as sesquiterpenoid .
The molecule O1[C@H]([C@H](O)[C@@H](O)[C@@H](O)C1)O/C(/[C@@H]2O[C@H](OC)[C@H](O)[C@@H](O)[C@@H]2O)=C/3\[C@@H]4C(C)(C)[C@H](CC3)C4 O1[C@H]([C@H](O)[C@@H](O)[C@@H](O)C1)O/C(/[C@@H]2O[C@H](OC)[C@H](O)[C@@H](O)[C@@H]2O)=C/3\[C@@H]4C(C)(C)[C@H](CC3)C4 is A monoterpene glycoside with formula C21H34O10, originally isolated from the roots of Paeonia lactiflora. It has the role of plant metabolite . Its functional parent is beta-pinene . It is also related to or classified as disaccharide derivative , monoterpene glycoside .
The molecule CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](OC1O)CO)O[C@H]2[C@@H]([C@H]([C@@H](O2)[C@@H](CO)O)O)O)O is an amino disaccharide consisting of beta-D-galactofyanosyl and 2-acetamido-2-deoxy-D-glucopyranose residues joined in sequence by a (1->4) glycosidic bond. It is an amino disaccharide and a member of acetamides. It derives from a beta-D-galactofuranose and a N-acetyl-D-glucosamine.
The molecule C[C@]12CC=C3C=C4[C@H]([C@@H]([C@H](C[C@]45CC[C@@]3([C@@H]1C[C@@H]([C@@H]2C6=CC7=C(C=C6)C=CN=C7)O)O5)N(C)C)O)O is a member of the class of cortistatins that is cortistatin A in which the hydrogen at the 16beta position has been replaced by a hydroxy group. It is a member of cortistatins, a diol and a secondary alcohol. It derives from a cortistatin A.
The molecule C1=CC=C2C=C3C(=CC2=C1)C=CC4=C3C(=CC=C4)O is a member of the class of tetraphenes that is tetraphene in which the hydrogen at position 1 has been replaced by a hydroxy group. It is a urinary hydroxylated metabolite of tetraphene (benzo[a]anthracene). It has a role as a human xenobiotic metabolite. It is a member of tetraphenes and a member of phenols. It derives from a hydride of a tetraphene.
The molecule CC/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCCCCCCCCCCCCCCCCCCCC(=O)O is a very long-chain omega-3 fatty acid that is octatriacontanoic acid having six double bonds located at positions 23, 26, 29, 32 and 35 (the 23Z,26Z,29Z,32Z,35Z-isomer). It is an omega-3 fatty acid and an octatriacontapentaenoic acid. It is a conjugate acid of a (23Z,26Z,29Z,32Z,35Z)-octatriacontapentaenoate.
The molecule C1CNc2ncncc2N1 C1CNc2ncncc2N1 is 5,6,7,8-tetrahydropteridine. It has the role of cofactor . It has the role of Escherichia coli metabolite . It is also related to or classified as pteridines .
The molecule C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H](O[C@@H]([C@H]2O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O[C@@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)NC(=O)C)O[C@H]5[C@H]([C@@H]([C@@H]([C@@H](O5)C)O)O)O)CO)O[C@H]6[C@H]([C@H](O[C@H]([C@@H]6O)O)CO)O)NC(=O)C)O)O)O is a branched amino hexasaccharide consisting of the trisaccharide beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactose where the galactosyl residue at the non-reducing end has alpha-L-fucosyl and N-acetyl-alpha-D-galactosaminylresidues attached at the 2- and 3-positions respectively and the glucosaminyl residue has an alpha-L-fucosyl attached at the 3-position. It is an amino hexasaccharide, a galactosamine oligosaccharide and a glucosamine oligosaccharide.
The molecule COc1c(O)cc(cc1O)[C@H]1Oc2c(C[C@@H]1O)c(O)cc(O)c2[C@H]1[C@H](O)[C@H](Oc2cc(O)cc(O)c12)c1cc(O)c(OC)c(O)c1 COc1c(O)cc(cc1O)[C@H]1Oc2c(C[C@@H]1O)c(O)cc(O)c2[C@H]1[C@H](O)[C@H](Oc2cc(O)cc(O)c12)c1cc(O)c(OC)c(O)c1 is (4alpha->8)-bis-4'-O-methylgallocatechin. It is also related to or classified as proanthocyanidin , biflavonoid , hydroxyflavan , methoxyflavan .
The molecule O=Cc1cc2cc3ccc(cc4ccc(cc5ccc(cc1[nH]2)n5)[nH]4)n3 O=Cc1cc2cc3ccc(cc4ccc(cc5ccc(cc1[nH]2)n5)[nH]4)n3 is 2-formylporphyrin. It is also related to or classified as aldehyde  . It is also related to or classified as beta-formylporphyrin .
The molecule COC(=O)C(NC(=O)OC(C)(C)C)=Cc1ccc2nc(Oc3ccccc3)ccc2c1 COC(=O)C(NC(=O)OC(C)(C)C)=Cc1ccc2nc(Oc3ccccc3)ccc2c1 is methyl 2-[(tert-butoxycarbonyl)amino]-3-(2-phenoxy-6-quinolyl)acrylate. Its functional parent is 2-aminoacrylic acid . Its functional parent is tert-butanol .  It is also related to or classified as methyl ester  . It is also related to or classified as carbamate ester , quinolines , aromatic ether .
The molecule C(C(=O)O)C(CC(=O)O)(C(=O)O)O is a tricarboxylic acid that is propane-1,2,3-tricarboxylic acid bearing a hydroxy substituent at position 2. It is an important metabolite in the pathway of all aerobic organisms. It has a role as a food acidity regulator, a chelator, an antimicrobial agent and a fundamental metabolite. It is a conjugate acid of a citrate(1-) and a citrate anion.
The molecule CCCCCCCC(=O)OC[C@H](CO)O is a 1-acyl-sn-glycerol that has octanoyl as the 1-acyl group. It is a 1-monooctanoylglycerol and a 1-acyl-sn-glycerol. It is an enantiomer of a 3-octanoyl-sn-glycerol.
The molecule CC(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)O is a dipeptide obtained by formal condensation of the carboxy group of N-acetyl-L-methionine with the amino group of L-tyrosine. It is an acetamide and a dipeptide.
The molecule CC1=CC(=C(C=C1N=NC2=CC(=C(C=C2)OC)S(=O)(=O)O)OC)N is an arenesulfonic acid that is 2-methoxybenzenesulfonic acid substituted at position 5 by a (4-amino-5-methoxy-2-methylphenyl)diazenyl group. The sodium salt is the histological dye 'Sirius scarlet GG'. It has a role as a histological dye and a fluorochrome. It is a member of azobenzenes, an aromatic ether, a substituted aniline and an arenesulfonic acid. It is a conjugate acid of a 5-[(4-amino-5-methoxy-2-methylphenyl)diazenyl]-2-methoxybenzene-1-sulfonate.
The molecule C1=CC2=CC(=C(C(=C2C(=O)C(=C1)O)O)O)O is a cyclic ketone that is 5H-benzocycloheptene bearing an oxo group at position 5 and hydroxy groups at positions 2, 3, 4 and 6. It has a role as an antibacterial agent, an antioxidant, an EC 1.17.3.2 (xanthine oxidase) inhibitor and a protective agent. It is a tetrol, a cyclic ketone and a member of phenols. It derives from a hydride of a 5H-benzocycloheptene.
The molecule [H][C@@]12CCC3=CC(=O)CCC3=C1[C@H](C[C@@]1(C)[C@@]2([H])CC[C@@]1(O)C#CC)c1ccc(cc1)N(C)C [H][C@@]12CCC3=CC(=O)CCC3=C1[C@H](C[C@@]1(C)[C@@]2([H])CC[C@@]1(O)C#CC)c1ccc(cc1)N(C)C is mifepristone. It has the role of hormone antagonist . It has the role of contraceptive drug . It has the role of synthetic oral contraceptive . It has the role of abortifacient . It is also related to or classified as 3-oxo-Delta(4) steroid  .  It is also related to or classified as acetylenic compound  . It is also related to or classified as tertiary amino compound .
The molecule COC1=CC(=CC(=C1O)OC)C2C(OC3=C(O2)C=C4C=CC(=O)OC4=C3)CO is a pyranobenzodioxin obtained by formal cyclocodensation between syringylglycerol and esculetin. It is found in Arabidopsis thaliana. It has a role as a plant metabolite. It is a member of coumarins, a dimethoxybenzene, a member of phenols, a primary alcohol, a lignan and a pyranobenzodioxin. It derives from an esculetin and a 2,6-dimethoxyphenol.
The molecule COc1c(O)cc(cc1O)[C@H]1Oc2c(C[C@@H]1O)c(O)cc(O)c2[C@@H]1[C@@H](O)[C@H](Oc2cc(O)cc(O)c12)c1ccc(O)c(O)c1 COc1c(O)cc(cc1O)[C@H]1Oc2c(C[C@@H]1O)c(O)cc(O)c2[C@@H]1[C@@H](O)[C@H](Oc2cc(O)cc(O)c12)c1ccc(O)c(O)c1 is epicatechin-(4beta->8)-4'-O-methylgallocatechin. It has the role of metabolite . It is also related to or classified as proanthocyanidin .
The molecule O=C1CCNC(=O)N1 O=C1CCNC(=O)N1 is A pyrimidine obtained by formal addition of hydrogen across the 5,6-position of uracil. 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 uracil . It is also related to or classified as pyrimidone .
The molecule CCCCCCCCCCCCCCCCCCCCCCCC(=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/CCCCCCCCCCCCC)O is a N-acyl-beta-D-galactosylsphingosine in which the acyl group is tetracosananoyl. It has a role as a mouse metabolite. It derives from a tetracosanoic acid.
The molecule COC1=CC=CC2=C1C(=CN2)CSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N is a tripeptide that is glutathione in which the side-chain thiol group of the cysteine residue is substituted by a 4-methoxyindol-3-ylmethyl group. It has a role as a metabolite. It is a S-conjugate, a member of indoles, a glutathione derivative and a tripeptide. It derives from an indole-3-methanol.
The molecule C([C@H]([C@H]([C@@H]([C@H](C(=O)O)N)O)O)O)OP(=O)(O)O is a carbohydrate phosphate that is the 6-O-phospho derivative of 2-amino-2-deoxy-D-gluconic acid. It is a gluconic acid derivative and a carbohydrate phosphate. It derives from a 2-amino-2-deoxy-D-gluconic acid. It is a conjugate acid of a D-glucosaminic acid 6-phosphate(2-).
The molecule C[N+](C)(C)CCCC([O-])=O C[N+](C)(C)CCCC([O-])=O is an amino-acid betaine gamma-aminobutyric acid zwitterion in which all of the hydrogens attached to the nitrogen are replaced by methyl groups. It has the role of Escherichia coli metabolite . It has the role of human metabolite . Its functional parent is gamma-aminobutyrate . Its functional parent is gamma-aminobutyric acid zwitterion . It is also related to or classified as amino-acid betaine .
The molecule C#C[C@@H](/C=C/CCCCCCCCCCC/C=C\\CCCCCCCCC/C=C/[C@H](C#C)O)O is an enyne that is (4E,15Z,28E)-dotriaconta-4,15,28-triene-1,31-diyne substituted by hydroxy groups at positions 3 and 30 (the 3R,30R-stereoiosmer). It has been isolated from the marine sponge Petrosia. It has a role as an antineoplastic agent, an animal metabolite and a marine metabolite. It is a diol, an enyne, a secondary alcohol and a terminal acetylenic compound.
The molecule COc1c(O)cc(cc1O)[C@H]1Oc2c(C[C@@H]1O)c(O)cc(O)c2[C@@H]1[C@@H](O)[C@H](Oc2cc(O)cc(O)c12)c1cc(O)c(O)c(O)c1 COc1c(O)cc(cc1O)[C@H]1Oc2c(C[C@@H]1O)c(O)cc(O)c2[C@@H]1[C@@H](O)[C@H](Oc2cc(O)cc(O)c12)c1cc(O)c(O)c(O)c1 is epigallocatechin-(4beta->8)-4'-O-methylgallocatechin. It has the role of metabolite . It is also related to or classified as proanthocyanidin .
The molecule C[C@@]1(N(C(CO1)(C)C)C(=O)N2C=CN=C2)CCCC3=CC=C(C=C3)Cl.C[C@@]1(N(C(CO1)(C)C)C(=O)N2C=CN=C2)CCCC3=CC=C(C=C3)Cl.C(=C/C(=O)O)\\C(=O)O is a fumarate salt prepared from (S)-oxpoconazole by reaction of one molecule of fumaric acid for every two molecules of (S)-oxpoconazole. It contains a (S)-oxpoconazole(1+). It is an enantiomer of a (R)-oxpoconazole fumarate.
The molecule C/C=C/[C@@H]([C@@H](/C=C/C1=C(C(=CC=C1)O)CO)O)O is a member of the class of benzyl alcohols resulting from the formal reduction of the aldehyde group of pyriculol. Produced by the rice blast fungus Magnaporthe oryzae. It has a role as a fungal metabolite. It is a heptaketide, a tetrol, a secondary allylic alcohol, a homoallylic alcohol, a member of benzyl alcohols and a member of phenols. It derives from a pyriculol.
The molecule CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)OP(=O)(O)OC[C@@H]3[C@H](C[C@@H](O3)N4C=CC(=NC4=O)N)OP(=O)(O)OC[C@@H]5[C@H](C[C@@H](O5)N6C=CC(=NC6=O)N)O.C1[C@@H]([C@H](O[C@H]1N2C=NC3=C(N=CN=C32)N)COP(=O)(O)O[C@H]4C[C@@H](O[C@@H]4COP(=O)(O)O[C@H]5C[C@@H](O[C@@H]5COP(=O)(O)O)N6C=NC7=C6N=C(NC7=O)N)N8C=NC9=C8N=C(NC9=O)N)O is a double-stranded DNA polynucleotide comprising in one strand a repeating sequence of one thymidine residue and and two deoxycytidine residues, with in a complementary strand a repeating sequence of two deoxyguanosine residues and one deoxyadenosine residue, all residues in each strand being connected by 3'->5' phosphodiester linkages. It contains a poly[d(TCC)] and a poly[d(GGA)].
The molecule CC(CCCCCCCCCC(=O)[O-])O is a hydroxy fatty acid anion that is the conjugate base of 11-hydroxylauric acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is a hydroxy fatty acid anion, a medium-chain fatty acid anion and an (omega-1)-hydroxy fatty acid anion. It derives from a dodecanoate. It is a conjugate base of an 11-hydroxylauric acid.
The molecule O[C@H]1[C@H](Oc2cc(O)cc(O)c2[C@@H]1c1c(O)cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc12)c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1 O[C@H]1[C@H](Oc2cc(O)cc(O)c2[C@@H]1c1c(O)cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc12)c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1 is epigallocatechin-(4beta->8)-epigallocatechin-3-O-gallate. It has the role of metabolite . It is also related to or classified as proanthocyanidin .
The molecule [C@H]1([C@@H]([C@H]([C@@H]([C@H](O1)COC(C=2C=CC=CC2)=O)O)O)O)O[C@@]34[C@]5([C@@](C3)([C@@]6(O[C@]5(O[C@]4(C6)C)[H])O)[H])COC(C7=CC=C(C=C7)O)=O [C@H]1([C@@H]([C@H]([C@@H]([C@H](O1)COC(C=2C=CC=CC2)=O)O)O)O)O[C@@]34[C@]5([C@@](C3)([C@@]6(O[C@]5(O[C@]4(C6)C)[H])O)[H])COC(C7=CC=C(C=C7)O)=O is A monoterpene glycoside with formula C30H32O13, originally isolated from Paeonia suffruticosa. It has the role of radical scavenger . It has the role of plant metabolite . It is also related to or classified as alpha-D-glucoside  .  It is also related to or classified as lactol  .    It is also related to or classified as 4-hydroxybenzoate ester  . It is also related to or classified as bridged compound , O-acyl carbohydrate , cyclic acetal , monoterpene glycoside .
The molecule C([C@@H]1[C@H]([C@H](C(O1)OP(=O)(O)O)O)O)O is a ribose monophosphate that is D-ribose substituted at position 1 by a phosphate group. It has a role as a metabolite. It derives from a D-ribose.
The molecule C[C@H]1[C@@H](C[C@H]([C@@H](O1)OCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C(N=CN=C43)N)O)OP(=O)(O)O)O)O)O is an acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of oscr#18. It derives from an oscr#18. It is a conjugate acid of an oscr#18-CoA(4-).
The molecule C[C@H](CC(CC(C)C)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C is a 23-hydroxy steroid, a 12alpha-hydroxy steroid, a 3alpha-hydroxy steroid and a 7alpha-hydroxy steroid. It derives from a hydride of a 5beta-cholestane.
The molecule C1[C@H](NCC1O)C(=O)O is the L-stereoisomer of 4-hydroxyproline. It is a 4-hydroxyproline, a L-proline derivative and a non-proteinogenic L-alpha-amino acid. It is a conjugate acid of a 4-hydroxy-L-prolinate. It is an enantiomer of a 4-hydroxy-D-proline. It is a tautomer of a 4-hydroxy-L-proline zwitterion.
The molecule CC[C@H]([C@H](CCN1C(=CN=C2C1=NC(=O)NC2=O)C)O)O is a pteridine that is lumazine substituted with a 1,2-dideoxy-1-D-ribityl group at position 8 and a methyl group at position 7; one of 20 modifications to the potent microbial riboflavin-based metabolite antigen 5-(2-oxopropylideneamino)-6-D-ribityl aminouracil (5-OP-RU), an activator of mucosal-associated invariant T (MAIT) cells when presented by the MR1 protein (reported in MED:32123373). It derives from a lumazine and a ribitol.