anonymous041/ChEBI-Augmented huggingface dataset:
The molecule C[N@@+]1([O-])CC[C@@H](CC1)[Si](C)(C)c1ccccc1 C[N@@+]1([O-])CC[C@@H](CC1)[Si](C)(C)c1ccccc1 is A piperidine N-oxide having a dimethylphenylsilyl substituent at the 4-position. It has the role of epitope .   It is also related to or classified as tertiary amine oxide  . It is also related to or classified as organosilicon compound , piperidine N-oxide .
The molecule CCCCC[C@@H](C/C=C/1\\[C@H](C=CC1=O)C/C=C\\CCCC(=O)O)O is a member of the class of prostaglandins J that is prosta-5,9,12-trien-1-oic acid carrying oxo and hydsroxy substituents at positions 11 and 15 respectively (the 5Z,12E,15S-stereoisomer). It has a role as an antineoplastic agent and an antiviral agent. It is a prostaglandins J and a secondary alcohol. It derives from a prostaglandin J2. It is a conjugate acid of a 13,14-dihydro-Delta(12)-prostaglandin J2(1-).
The molecule [O-]C(=O)c1cc(=O)[nH]c(=O)[nH]1 [O-]C(=O)c1cc(=O)[nH]c(=O)[nH]1 is orotate. It has the role of Saccharomyces cerevisiae metabolite . It has the role of human metabolite . Its functional parent is uracil . It is also related to or classified as pyrimidinecarboxylate anion .
The molecule C(CCCCCCC/C=C/C(=O)O)CCCCCCCO is an omega-hydroxy fatty acid that is trans-octadec-2-enoic acid in which one of the hydrogens of the terminal methyl group has been replaced by a hydroxy group. It is an alpha,beta-unsaturated monocarboxylic acid, an omega-hydroxy fatty acid, a long-chain fatty acid, a straight-chain fatty acid and a hydroxy monounsaturated fatty acid. It derives from a trans-octadec-2-enoic acid.
The molecule OC(=O)C(c1ccccc1)S(O)(=O)=O OC(=O)C(c1ccccc1)S(O)(=O)=O is an member of the class of phenylacetic acids that is phenylacetic acid in which one of the hydrogens alpha- to the carboxy group has been replaced by a sulfo group. Its functional parent is phenylacetic acid . It is a conjugate acid of alpha-sulfophenylacetate .  It is also related to or classified as organosulfonic acid  . It is also related to or classified as phenylacetic acids .
The molecule CCCCC[C@@H]([C@H](C/C=C\\C/C=C\\C/C=C\\CCCC(=O)[O-])O)O is a (5Z,8Z,11Z)-14,15-dihydroxyicosatrienoate obtained by deprotonation of the carboxy group of (5Z,8Z,11Z,14S,15S)-14,15-dihydroxyicosatrienoic acid; major species at pH 7.3. It is a conjugate base of a (5Z,8Z,11Z,14S,15S)-14,15-dihydroxyicosatrienoic acid. It is an enantiomer of a (5Z,8Z,11Z,14R,15R)-14,15-dihydroxyicosatrienoate.
The molecule C(CCCCCC)C(=O)[O-] C(CCCCCC)C(=O)[O-] is A straight-chain saturated fatty acid anion that is the conjugate base of octanoic acid (caprylic acid); believed to block adipogenesis. It has the role of Saccharomyces cerevisiae metabolite . It has the role of human metabolite .  It is also related to or classified as fatty acid anion 8:0  . It is also related to or classified as straight-chain saturated fatty acid anion .
The molecule C([C@@](COC(CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)=O)(OC(CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)=O)[H])OP(OCC[N+](C)(C)C)(=O)[O-] C([C@@](COC(CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)=O)(OC(CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)=O)[H])OP(OCC[N+](C)(C)C)(=O)[O-] is A phosphatidylcholine (22:4/20:4) which carries a (6Z,9Z,12Z,15Z)-22-oxodocosa-6,9,12,15-tetraen-22-yl group at position 1 and a (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl group at position 2. It is also related to or classified as phosphatidylcholine (22:4/20:4)  .
The molecule C1[C@H]([C@H](OC2=C1C(=CC(=C2[C@H]3[C@@H]([C@H](OC4=CC(=CC(=C34)O)O)C5=CC(=C(C=C5)O)O)O)O)O)C6=CC(=C(C=C6)O)O)O is a proanthocyanidin obtained by the condensation of (-)-epicatechin and (+)-catechin units. It has a role as an antioxidant, an EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor and an antineoplastic agent. It is a proanthocyanidin and a hydroxyflavan. It derives from a (-)-epicatechin and a (+)-catechin.
The molecule CC(C)CCOC(C)=O CC(C)CCOC(C)=O is the acetate ester of isoamylol. It has the role of metabolite . It has the role of Saccharomyces cerevisiae metabolite . Its functional parent is isoamylol . It is also related to or classified as acetate ester  .
The molecule O=C1N([C@@H](C(=O)NC1=C)CC2=CC=CC=C2)C O=C1N([C@@H](C(=O)NC1=C)CC2=CC=CC=C2)C is Streptodiketopiperazine B. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule C1=CC(=CC2=C1C=CC(=O)O2)OS(=O)(=O)O is a member of the class of coumarins that is umbelliferone in which the phenolic hydrogen has been replaced by a sulfo group. It has a role as a human xenobiotic metabolite, a human urinary metabolite and a mouse metabolite. It is an aryl sulfate and a member of coumarins. It derives from an umbelliferone. It is a conjugate acid of an umbelliferone sulfate(1-).
The molecule O=C1c2ccccc2-c2ccccc12 O=C1c2ccccc2-c2ccccc12 is the simplest member of the class  fluoren-9-ones that is 9H-fluorene bearing an oxo substituent at position 9. It has the role of fungal xenobiotic metabolite . It is also related to or classified as fluoren-9-ones .
The molecule C[C@@H]1O[C@@H](O)[C@H](O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4NC(C)=O)[C@H]3O)[C@H]2O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H]1O C[C@@H]1O[C@@H](O)[C@H](O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4NC(C)=O)[C@H]3O)[C@H]2O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H]1O is A branched amino pentasaccharide consisting of three alpha-L-rhamnose residues [linked sequentially (1->3) and (1->2); one at the reducing end] and two N-acetyl beta-D-glucosaminyl residues [one linked (1->3) to the reducing-end rhamnose and the other linked (1->3) to the non-reducing-end rhamnose]. It is also related to or classified as amino pentasaccharide .
The molecule C1=CC(=CC=C1C(=O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O is an O-acyl carbohydrate that is beta-D-glucopyranose in which the anomeric hydroxy hydrogen has been replaced by a 4-hydroxybenzoyl group. It has a role as a plant metabolite. It is a beta-D-glucoside, an O-acyl carbohydrate, a benzoate ester and a monosaccharide derivative.
The molecule [NH3+]CCOP([O-])(=O)OCC([NH3+])C([O-])=O [NH3+]CCOP([O-])(=O)OCC([NH3+])C([O-])=O is dizwitterionic form of serine phosphoethanolamine having anionic carboxy and phosphate groups and both amino groups protonated. It is also related to or classified as amino-acid zwitterion .
The molecule Nc1nc(N[C@@H]2O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]2O)c(N)c(=O)[nH]1 Nc1nc(N[C@@H]2O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]2O)c(N)c(=O)[nH]1 is 5-O-Phosphono-beta-D-ribofuranose in which the hydroxy group at position 1 is substituted by the 6-amino group of 2,5,6-triaminopyrimidin-4(3H)-one. It is a conjugate acid of 2,5-diamino-6-(1-D-ribosylamino)pyrimidin-4(3H)-one 5'-phosphate(2-) . It is also related to or classified as N-glycosyl compound  . It is also related to or classified as ribose monophosphate , pyrimidone , aminopyrimidine .
The molecule Oc1cccc(CCC([O-])=O)c1 Oc1cccc(CCC([O-])=O)c1 is A monocarboxylic acid anion that is the conjugate base of 3-(3-hydroxyphenyl)propanoic acid. It has the role of human xenobiotic metabolite . It is also related to or classified as monocarboxylic acid anion  .
The molecule CC1COC(O1)(CN2C=NC=N2)C3=C(C=C(C=C3)OC4=CC=C(C=C4)Cl)Cl is a member of the class of dioxolanes that is 1,3-dioxolane substituted at position 2 by 2-chloro-4-(4-chlorophenoxy)phenyl and 1,2,4-triazol-1-ylmethyl groups. A broad spectrum fungicide with novel broad-range activity used as a spray or seed treatment. It is moderately toxic to humans, mammals, birds and most aquatic organisms. It has a role as an environmental contaminant, a xenobiotic, an EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor and an antifungal agrochemical. It is an aromatic ether, a dioxolane, a member of triazoles, a cyclic ketal, a conazole fungicide and a triazole fungicide.
The molecule [Na+].[Na+].[O-][Mo]([O-])(=O)=O [Na+].[Na+].[O-][Mo]([O-])(=O)=O is an inorganic sodium salt having molybdate as the counterion. It has the role of NMR chemical shift reference compound . It has the role of poison . It is also related to or classified as inorganic sodium salt .
The molecule OC(=O)CCc1cccc(O)c1 OC(=O)CCc1cccc(O)c1 is A monocarboxylic acid that is propionic acid carrying a 3-hydroxyphenyl substituent at C-3. It has the role of human xenobiotic metabolite . It has the role of Escherichia coli metabolite . Its functional parent is propionic acid . It is a conjugate acid of 3-(3-hydroxyphenyl)propanoate . It is also related to or classified as monocarboxylic acid .
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)C4=CC5=CC=CC=C5C=C4)O is an acyl-CoA thioester that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 2-naphthoic acid.. It has a role as a mouse metabolite. It derives from a 2-naphthoic acid.
The molecule Nc1ccn([C@H]2C[C@H](O)[C@@H](COP([O-])([O-])=O)O2)c(=O)n1 Nc1ccn([C@H]2C[C@H](O)[C@@H](COP([O-])([O-])=O)O2)c(=O)n1 is A 2'-deoxyribonucleoside 5'-monophosphate(2-) obtained by deprotonation of the phosphate OH groups of 2'-deoxycytidine 5'-monophosphate (dCMP); major species at pH 7.3. It has the role of Saccharomyces cerevisiae metabolite . It has the role of human metabolite . It is also related to or classified as pyrimidine 2'-deoxyribonucleoside 5'-phosphate(2-)  . It is also related to or classified as 2'-deoxynucleoside 5'-monophosphate(2-)  .
The molecule COC1=C(C(=C(C(=C1)CC2=NC3=C(N=C(N=C3N2CCCC#C)F)N)Cl)OC)OC is a member of the class of 6-aminopurines that is 2-fluoroadenine carrying additional 2-chloro-3,4,5-trimethoxybenzyl and pent-4-yn-1-yl substituents at positions 8 and 9 respectively. It has a role as a Hsp90 inhibitor and an antineoplastic agent. It is a member of 6-aminopurines, an organofluorine compound, an acetylenic compound, a member of methoxybenzenes and a member of monochlorobenzenes. It derives from an adenine.
The molecule CCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1OP(=O)(O)OP(=O)(O)OCCN)CO)OC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)OP(=O)(O)OP(=O)(O)OCCN)NC(=O)C[C@@H](CCCCCCCCCCC)O)OC(=O)C[C@@H](CCCCCCCCCCC)O)O)NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC is a member of the class of lipid As in which the 1- and 4'-phosphate groups of lipid A are both replaced by 2-aminoethyl diphosphate. It has a role as a bacterial metabolite. It is a member of lipid As and a tetradecanoate ester. It is a conjugate acid of a lipid A 1,4'-bis(2-aminoethyl diphosphate)(3-).
The molecule CC(C)(C)OC(=O)N1CCCCC1=O CC(C)(C)OC(=O)N1CCCCC1=O is piperidin-2-one N-protected by t-Boc.  It is also related to or classified as delta-lactam  . It is also related to or classified as piperidinecarboxylate ester .
The molecule C(=C\C/C=C\C/C=C\CCCCCC(O[C@@H]1CC=2[C@@]([C@@]3([C@]([C@]4([C@@]([C@](CC4)([C@@](CCCC(C)C)(C)[H])[H])(CC3)C)[H])(CC2)[H])[H])(CC1)C)=O)\C/C=C\CCCCC C(=C\C/C=C\C/C=C\CCCCCC(O[C@@H]1CC=2[C@@]([C@@]3([C@]([C@]4([C@@]([C@](CC4)([C@@](CCCC(C)C)(C)[H])[H])(CC3)C)[H])(CC2)[H])[H])(CC1)C)=O)\C/C=C\CCCCC is A cholesteryl ester resulting from the formal condensation of the carboxy group of all-cis-docosa-7,10,13,16-tetraenoic acid (adrenic acid) with the hydroxy group of cholesterol. Its functional parent is all-cis-docosa-7,10,13,16-tetraenoic acid .  It is also related to or classified as CE(22:4)  . It is also related to or classified as cholesteryl ester  . It is also related to or classified as polyunsaturated fatty ester .
The molecule COC(=O)NS(=O)(=O)C1=CC=C(C=C1)N is a carbamate ester that is methyl carbamate substituted by a (4-aminophenyl)sulfonyl group at the nitrogen atom. A dihydropteroate synthase inhibitor, it is used (normally as the corresponding sodium salt, asulam-sodium) as a herbicide, mainly for killing bracken. It has a role as an environmental contaminant, a xenobiotic, a herbicide, an agrochemical and an EC 2.5.1.15 (dihydropteroate synthase) inhibitor. It is a sulfonamide, a carbamate ester, a substituted aniline and a primary amino compound. It is a conjugate acid of an asulam(1-).
The molecule C[C@@H]1C2=C(C3=C(C=C(C=C3)O)OC2=O)O[C@]1(C)CCC/C(=C\\C(=O)C=C(C)C)/C is a furanocoumarin that is 2,3-dihydrofuro[3,2-c]coumarin substituted by a hydroxy group at position 7, methyl groups at positions 2 and 3 (relatively trans configuration) and a 4,8-dimethyl-4(Z),7-nonadien-6-onyl moiety at position 2. Isolated from the roots of Ferula fukanensis, it inhibits production of nitric oxide (NO). It has a role as a metabolite and an EC 1.14.13.39 (nitric oxide synthase) inhibitor. It is a furanocoumarin, a ketone, a member of phenols and a sesquiterpenoid.
The molecule C(N[C@H](C(O)=O)O)(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC C(N[C@H](C(O)=O)O)(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC is an N-acyl-(2S)-hydroxyglycine resulting from the formal condensation of (9Z,12Z,15Z)-octadeca-9,12,15-trienoic acid with the amino group of (2S)-hydroxyglycine. Its functional parent is alpha-linolenic acid . It is a conjugate acid of N-(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl-(2S)-hydroxyglycinate . It is also related to or classified as N-acyl-(2S)-hydroxyglycine  .
The molecule C[C@@]1(CC[C@@H]([C@@]2([C@]13[C@@H]([C@@H](C[C@H]2OC(=O)C4=CC=CC=C4)C(O3)(C)C)OC(=O)C5=CN=CC=C5)C)OC(=O)C6=CC=CC=C6)O is a sesquiterpene alkaloid that is isolated from the stem of Tripterygium regelii. It has a role as a plant metabolite. It is a sesquiterpene alkaloid, a benzoate ester, an organic heterotricyclic compound, an oxacycle, a bridged compound, a tertiary alcohol, a pyridine alkaloid and a dihydroagarofuran sesquiterpenoid. It derives from a nicotinic acid.
The molecule C1CNP(=O)(OC1)N(CCCl)CCCl is a phosphorodiamide that is 1,3,2-oxazaphosphinan-2-amine 2-oxide substituted by two 2-chloroethyl groups at the amino nitrogen atom. It has a role as a carcinogenic agent, an alkylating agent, an immunosuppressive agent, an antineoplastic agent, an antirheumatic drug, an environmental contaminant, a xenobiotic and a drug allergen. It is a phosphorodiamide, a nitrogen mustard and an organochlorine compound.
The molecule C(N[C@H](C([O-])=O)O)(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC C(N[C@H](C([O-])=O)O)(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC is an N-acyl-(2S)-hydroxyglycinate that is the conjugate base of N-(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl-(2S)-hydroxyglycine, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is also related to or classified as N-acyl-(2S)-hydroxyglycinate  .
The molecule [H]S(O)(=O)=O [H]S(O)(=O)=O is sulfonic acid. It is a conjugate acid of sulfonate . It is also related to or classified as sulfur oxoacid .
The molecule CC(=O)C1=NCCCC1 CC(=O)C1=NCCCC1 is A tetrahydropyridine compound, bearing an acetyl group in the 6-position. It has the role of Maillard reaction product . It is also related to or classified as tetrahydropyridine .
The molecule CCN1C=C(C(=O)C2=C1N=C(C=C2)C)C(=O)[O-] is a monocarboxylic acid anion that is the conjugate base of nalidixic acid; major species at pH 7.3. It is a conjugate base of a nalidixic acid.
The molecule C(CCCCCCCCCCCCC)(=O)N[C@H](C(O)=O)O C(CCCCCCCCCCCCC)(=O)N[C@H](C(O)=O)O is an N-acyl-(2S)-hydroxyglycine resulting from the formal condensation of tetradecanoic acid (myristic acid) with the amino group of (2S)-hydroxyglycine. Its functional parent is tetradecanoic acid . It is a conjugate acid of N-tetradecanoyl-(2S)-hydroxyglycinate . It is also related to or classified as N-acyl-(2S)-hydroxyglycine  .
The molecule C(CN)CNCCCNCCCN is a polyazaalkane consisting of a 13-membered straight chain alkane with aza-groups at the 1-, 5-, 9- and 13-positions. It is a polyazaalkane and a tetramine. It is a conjugate base of a 3,3,3-tetraminium(4+).
The molecule CSC1=CC=CC=C1 is an aryl sulfide that is thiophenol in which the hydrogen of the thiol group has been replaced by a methyl group. It is an aryl sulfide and a member of benzenes. It derives from a thiophenol.
The molecule CCCCCCCCCCCCCCCC(=O)OCC(O)COP(O)(O)=O CCCCCCCCCCCCCCCC(=O)OCC(O)COP(O)(O)=O is A monoacylglycerol phosphate having palmitoyl as the acyl group on O-1 and with the phosphate group on O-3. It is a conjugate acid of 1-palmitoylglycerol 3-phosphate(2-) . It is also related to or classified as 2-lysophosphatidic acid  .
The molecule C(CCCCCCCCCCCCC)(=O)N[C@H](C([O-])=O)O C(CCCCCCCCCCCCC)(=O)N[C@H](C([O-])=O)O is an N-acyl-(2S)-hydroxyglycinate resulting from the deprotonation of the carboxy group of N-tetradecanoyl-(2S)-hydroxyglycine. The major species at pH 7.3. It is also related to or classified as N-acyl-(2S)-hydroxyglycinate  .
The molecule [H][C@@]1(O[C@H](O[C@H]2[C@@H](O)[C@H](O)[C@]([H])(O[C@@H]2O[C@@H]2[C@H](O)[C@@H](O[C@@H]3[C@H](O)C[C@@](O)(O[C@]3([H])[C@H](O)CO)C(O)=O)O[C@]([H])([C@@H](O)CO)[C@H]2O)[C@@H](O)CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O)[C@@H](O)CO [H][C@@]1(O[C@H](O[C@H]2[C@@H](O)[C@H](O)[C@]([H])(O[C@@H]2O[C@@H]2[C@H](O)[C@@H](O[C@@H]3[C@H](O)C[C@@](O)(O[C@]3([H])[C@H](O)CO)C(O)=O)O[C@]([H])([C@@H](O)CO)[C@H]2O)[C@@H](O)CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O)[C@@H](O)CO is A linear pentasaccharide consisting of a beta-D-galactose residue, three L-glycero-alpha-D-manno-heptose residues and (at the reducing end) a 3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid (Kdo) residue linked sequentially (1->2), (1->2), (1->3) and (1->5); the structure is that of the pentasaccharide epitope from Haemophilus influenzae MAHI 4. It has the role of epitope . It is also related to or classified as pentasaccharide .
The molecule [H][C@@]1(OC(O)[C@@H](O)[C@@H](O)[C@@H]1O)[C@H](O)COP(O)(O)=O [H][C@@]1(OC(O)[C@@H](O)[C@@H](O)[C@@H]1O)[C@H](O)COP(O)(O)=O is d-glycero-D-manno-heptose in which the hydrogen of the primary hydroxy group is substituted by a dihydrogen phosphate group. It has the role of Escherichia coli metabolite . It is a conjugate acid of D-glycero-D-manno-heptose 7-phosphate(2-) . It is also related to or classified as aldoheptose phosphate .
The molecule CCCCCC(/C=C/C(C(CCCCCCCC(=O)O)O)O)O is a TriHOME that is (11E)-octadec-11-enoic acid in which the three hydroxy substituents are located at positions 9, 10 and 13. It has a role as a human blood serum metabolite. It is a TriHOME, a monounsaturated fatty acid, a long-chain fatty acid and a straight-chain fatty acid.
The molecule C(CCCCCCCCCCC)(=O)N[C@H](C(O)=O)O C(CCCCCCCCCCC)(=O)N[C@H](C(O)=O)O is an N-acyl-(2S)-hydroxyglycine resulting from the formal condensation of dodecanoic acid (lauric acid) with the amino group of (2S)-hydroxyglycine. Its functional parent is dodecanoic acid . It is a conjugate acid of N-dodecanoyl-(2S)-hydroxyglycinate . It is also related to or classified as (2S)-alpha-hydroxyglycine  .
The molecule [O-]Cl(=O)(=O)=O [O-]Cl(=O)(=O)=O is A monovalent inorganic anion obtained by deprotonation of perchloric acid. It is also related to or classified as chlorine oxoanion , monovalent inorganic anion .
The molecule CC1(CC(=O)C2=CC=CC=C2C1=O)S(=O)(=O)[O-] is an organosulfonate oxoanion that is the conjugate base of menadione sulfonic acid, arising from deprotonation of the sulfo group; major species at pH 7.3. It is a conjugate base of a menadione sulfonic acid.
The molecule C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC3=CC(=C4C(=O)C[C@H](OC4=C3)C5=CC=C(C=C5)OC)O)CO)O)O)O)O)O is a flavanone glycoside that is 4'-methoxy-5,7-dihydroxyflavanone attached to a neohesperidose (alpha-L-rhamnopyranosyl-(1->2)-beta-D-glucopyranose) residue via a glycosidic linkage. It has been isolated from the fruits of Poncirus trifoliata and exhibits inhibitory activity against liopolysaccharide (LPS)-induced prostaglandin E2 and interleukin-6 (IL-6) production. It has a role as a plant metabolite. It is a monomethoxyflavanone, a flavanone glycoside, a disaccharide derivative, a neohesperidoside and a member of 4'-methoxyflavanones. It derives from a 4'-methoxy-5,7-dihydroxyflavanone.
The molecule Nc1nc(N)nc(Cl)n1 Nc1nc(N)nc(Cl)n1 is 6-chloro-1,3,5-triazine-2,4-diamine. Its functional parent is 1,3,5-triazine-2,4-diamine . Its functional parent is 2-chloro-1,3,5-triazine . It is also related to or classified as chloro-1,3,5-triazine , diamino-1,3,5-triazine .
The molecule C(CCCCCCCCCCC)(=O)N[C@H](C([O-])=O)O C(CCCCCCCCCCC)(=O)N[C@H](C([O-])=O)O is an N-acyl-(2S)-hydroxyglycinate resulting from the deprotonation of the carboxy group of N-dodecanoyl-(2S)-hydroxyglycine. The major species at pH 7.3. It is also related to or classified as N-acyl-(2S)-hydroxyglycinate  .
The molecule [Na+].[O-][V](=O)=O [Na+].[O-][V](=O)=O is an inorganic sodium salt having metavanadate as the counterion. It is also related to or classified as inorganic sodium salt .
The molecule O[C@@H]1[C@@H](COP([O-])([O-])=O)O[C@H]([C@@H]1O)n1cnc2c(NC(CC([O-])=O)C([O-])=O)ncnc12 O[C@@H]1[C@@H](COP([O-])([O-])=O)O[C@H]([C@@H]1O)n1cnc2c(NC(CC([O-])=O)C([O-])=O)ncnc12 is tetraanion of N(6)-(1,2-dicarboxyethyl)-AMP arising from deprotonation of carboxylic acid and phosphate functions. It has the role of Saccharomyces cerevisiae metabolite . It has the role of human metabolite . It is also related to or classified as dicarboxylic acid dianion  . It is also related to or classified as organophosphate oxoanion .
The molecule CCCCC[C@@H](/C=C/[C@H]1[C@@H](C[C@@H]([C@@H]1C/C=C\\CCCCN(C)C)O)O)O is a member of the class of prostaglandins Falpha that is the dimethylamine derivative of prostaglandin F2alpha. It has a role as a metabolite. It is a prostaglandins Falpha and a tertiary amine. It derives from a prostaglandin F2alpha and a dimethylamine.
The molecule CC(=C)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 CC(=C)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 is tetraanion of methacrylyl-CoA arising from deprotonation of the phosphate and diphosphate functions; principal microspecies at pH 7.3. It is also related to or classified as acyl-CoA oxoanion .
The molecule C(CCCCCCCCC)(=O)N[C@H](C(O)=O)O C(CCCCCCCCC)(=O)N[C@H](C(O)=O)O is an N-acyl-(2S)-hydroxyglycine resulting from the formal condensation of decanoic acid (capric acid) with the amino group of (2S)-hydroxyglycine. Its functional parent is decanoic acid . It is a conjugate acid of N-decanoyl-(2S)-hydroxyglycinate . It is also related to or classified as N-acyl-(2S)-hydroxyglycine  .
The molecule O=C1C2=C(OC3=C4C5=C(C(O)=CC(C5=C(C(C(C1)C)C4C)C6=C(O)C=CC=C6O)=O)C(=C3)O)C=CC=C2O O=C1C2=C(OC3=C4C5=C(C(O)=CC(C5=C(C(C(C1)C)C4C)C6=C(O)C=CC=C6O)=O)C(=C3)O)C=CC=C2O is Sporothrin C. It is also related to or classified as benzenes , naphthalenes , ring assembly .
The molecule CS(=O)(=O)/N=C(/C1=C(C=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)[N+](=O)[O-])\\[O-].[Na+] is an organic sodium salt that is the sodium salt of fomesafen. A protoporphyrinogen oxidase inhibitor, it was specially developed for post-emergence control of broad-leaf weeds in soya. It has a role as an agrochemical, an EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor and a herbicide. It contains a fomesafen(1-).
The molecule C(CCCCCCCCC)(=O)N[C@H](C([O-])=O)O C(CCCCCCCCC)(=O)N[C@H](C([O-])=O)O is an N-acyl-(2S)-hydroxyglycinate resulting from the deprotonation of the carboxy group of N-decanoyl-(2S)-hydroxyglycine. The major species at pH 7.3. It is also related to or classified as N-acyl-(2S)-hydroxyglycinate  .
The molecule C[Se]CC(N)C(O)=O C[Se]CC(N)C(O)=O is an alpha-amino acid compound having methylselanylmethyl as the side-chain. It has the role of antineoplastic agent . It has the role of human metabolite . It is a conjugate acid of Se-methylselenocysteinate . It is also related to or classified as selenocysteines , non-proteinogenic alpha-amino acid .
The molecule C[C@@H]1[C@H]([C@@]2([C@@H](C2(C)C)[C@H]3[C@]1([C@@H]4C=C(C(=O)[C@]4(CC(=C3)CO)O)C)O)OC(=O)C)OC(=O)C5=CC=CC=C5NC is a phorbol ester consisting of phorbol that is acylated at positions 12 and 13 by 2-(methylamino)benzoyl and acetyl groups respectively. It has a role as a metabolite and a fluorescent probe. It is a phorbol ester and a tertiary alpha-hydroxy ketone.