anonymous041/ChEBI-Augmented huggingface dataset:
The molecule OC=1C=CC(=CC1OC)C=2OC3=CC(=CC(=C3C(C2O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)COC(=O)C[C@@](CC(O)=O)(O)C)O)O)O)=O)O)OC OC=1C=CC(=CC1OC)C=2OC3=CC(=CC(=C3C(C2O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)COC(=O)C[C@@](CC(O)=O)(O)C)O)O)O)=O)O)OC is A viscumneoside that is rhamnacine (3',7-dimethylquercetin) in which the hydroxy group at position 3 has been converted to the corresponding beta-D-glucoside and in which the hydroxy group at position 6 of the glucosyl moiety has been acylated by formal condensatio with the pro-R carboxy group of 3-hydroxy-3-methylglutaric acid. It has the role of plant metabolite . Its functional parent is rhamnacene . Its functional parent is 3-hydroxy-3-methylglutaric acid .  It is also related to or classified as beta-D-glucoside  . It is also related to or classified as tertiary alcohol  .  It is also related to or classified as glycosyloxyflavone  . It is also related to or classified as viscumneoside , dicarboxylic acid monoester .
The molecule CN1[C@H]([C@](C(=CC1=O)OC)(C#N)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O is a member of the class of tetrahydropyridines that is 2,3-dihydroxy-4-methoxy-1-methyl-6-oxo-1,2,3,6-tetrahydropyridine-3-carbonitrile having a beta-D-glucosyl residue attached at position 3 via a glycosidic bond. It has a role as a plant metabolite. It is a beta-D-glucoside, a tetrahydropyridine, an enol ether, a delta-lactam and an aliphatic nitrile.
The molecule OCC(CO)OP(O)(O)=O OCC(CO)OP(O)(O)=O is A glycerol monophosphate having the phosphate group at the 2-position. It has the role of plant metabolite . It has the role of Escherichia coli metabolite . It is a conjugate acid of glycerol 2-phosphate(2-) . It is also related to or classified as glycerol monophosphate .
The molecule CC(C)[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)O)NC(=O)[C@H](CC(=O)O)N is a tetrapeptide composed of L-aspartic acid and three L-valine units joined in sequence by peptide linkages. It has a role as a metabolite. It derives from a L-aspartic acid and a L-valine.
The molecule C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CC3=CC=CC=C3)[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)CC3=CC=CC=C3)[C@@H](C)CO)C)CNC is N-[(3S,9R,10R)-12-[(2S)-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]-2-phenylacetamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule COC1=C(C=CC(O)=C1CC=C(C)C)C1COC2=C(C(O)=CC(O)=C2)C1=O COC1=C(C=CC(O)=C1CC=C(C)C)C1COC2=C(C(O)=CC(O)=C2)C1=O is A hydroxyisoflavanone that is isoflavanone substituted by hydroxy groups at positions 5, 7 and 4', a methoxy substituent at position 2' and a prenyl group at position 3'. It has the role of antimicrobial agent . It has the role of cyclooxygenase 1 inhibitor . It has the role of plant metabolite . It is also related to or classified as hydroxyisoflavanone , methoxyisoflavanone .
The molecule C1=C(C=[N+](C=C1C(=O)[S-])[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])[O-])O)O)C(=O)[O-] is an organophosphate oxoanion obtained by deprotonation of the carboxy, thiocarboxy and phosphate OH groups of pyridinium-3-carboxy-5-thiocarboxylic acid mononucleotide; major species at pH 7.3. It is an organic sulfur anion, an organophosphate oxoanion and a monocarboxylic acid anion. It is a conjugate base of a pyridinium-3-carboxy-5-thiocarboxylic acid mononucleotide.
The molecule C1=CC(=CC=C1C2=COC3=C(C(=C(C(=C3C2=O)O)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O is a C-glycosyl compound and a hydroxyisoflavone. It has a role as a plant metabolite. It derives from an isoflavone.
The molecule O=C1C2=C(O)C(OC)=C(O)C=3C2=C(C(OC)=CC3O)C(=C1)C O=C1C2=C(O)C(OC)=C(O)C=3C2=C(C(OC)=CC3O)C(=C1)C is Myeloconone A2. It is also related to or classified as ortho- and peri-fused tricyclic hydrocarbon .
The molecule S(=O)(=O)(O[C@@H]1[C@@H](O)[C@]23NC(N)=NC2[C@H](COC(=O)C)N=C(N3C1)N)O S(=O)(=O)(O[C@@H]1[C@@H](O)[C@]23NC(N)=NC2[C@H](COC(=O)C)N=C(N3C1)N)O is [(4R,9S,10S,10aS)-2,6-diamino-10-hydroxy-9-sulooxy-1,3a,4,8,9,10-hexahydropyrrolo[1,2-c]purin-4-yl]methyl acetate. It has the role of marine metabolite . It is also related to or classified as organic heterotricyclic compound .
The molecule C1=CC=C(C=C1)CC(C(=O)NC2=CC3=CC=CC=C3C=C2)NC(=O)C4=CC=CC=C4 is a member of the class of N-(2-naphthyl)carboxamides that is N-(naphthalen-2-yl)-3-phenylpropanamide in which one of the hydrogens at position 2 has been replaced by a benzamido group. It is a member of benzamides, a N-(2-naphthyl)carboxamide and a phenylalanine derivative.
The molecule O1C(C/C=C/C(OO)(C)C)(C=CC2=C1C=3C(N(C2=O)C)=CC=CC3)C O1C(C/C=C/C(OO)(C)C)(C=CC2=C1C=3C(N(C2=O)C)=CC=CC3)C is Peroxysimulenoline. It is also related to or classified as organic heterotricyclic compound , organonitrogen heterocyclic compound , oxacycle .
The molecule C1[C@@]2([C@]3(C[C@@H]([C@]4([C@]([C@@]3(CC[C@@]2(C[C@@H](C1)O)[H])[H])(CC[C@@]4([C@@H](CCC(NCC(O)=O)=O)C)[H])[H])C)O)[H])C C1[C@@]2([C@]3(C[C@@H]([C@]4([C@]([C@@]3(CC[C@@]2(C[C@@H](C1)O)[H])[H])(CC[C@@]4([C@@H](CCC(NCC(O)=O)=O)C)[H])[H])C)O)[H])C is A bile acid glycine conjugate of deoxycholic acid. It has the role of human metabolite . Its functional parent is deoxycholic acid . It is a conjugate acid of glycodeoxycholate . It is also related to or classified as bile acid glycine conjugate .
The molecule [NH3+][C@H]1CCOC1=O [NH3+][C@H]1CCOC1=O is an ammonium ion resulting from the protonation of the amino group of L-homoserine lactone. The major species at pH 7.3. It is a conjugate acid of L-homoserine lactone . It is also related to or classified as ammonium ion derivative .
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]([C@H](O2)CO)O)O)O)O)O)O)O is a trehalose in which both glucose residues have beta-configuration at the anomeric carbon. It is a trehalose and a beta-D-glucoside.
The molecule C(=O)(C(F)(F)F)O is a monocarboxylic acid that is the trifluoro derivative of acetic acid. It has a role as a reagent and a human xenobiotic metabolite. It derives from an acetic acid. It is a conjugate acid of a trifluoroacetate.
The molecule [NH3+]CCCCN(C(C)=O)O [NH3+]CCCCN(C(C)=O)O is major species at pH 7.3. It is also related to or classified as N-substituted putrescine .
The molecule C[C@]12CC[C@@H](C([C@@H]1CC[C@@]3([C@@H]2CC(=O)[C@H]4[C@]3(C[C@H]([C@@]5([C@H]4CC(CC5)(C)C)C=O)O)C)C)(C)C)O[C@H]6[C@@H]([C@H]([C@H](CO6)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O is a triterpenoid saponin that is (3beta,16alpha)-3,16-dihydroxy-12-oxooleanan-28-al attached to a beta-D-glucopyranosyl-(1->2)-[beta-D-glucopyranosyl-(1->4)]-alpha-L-arabinopyranosyl residue at position 3 via a glycosidic linkage. It has been isolated from the aerial parts of Lysimachia clethroides. It has a role as a plant metabolite. It is a pentacyclic triterpenoid, a trisaccharide derivative, a triterpenoid saponin, a cyclic terpene ketone, an aldehyde and a secondary alcohol. It derives from a hydride of an oleanane.
The molecule O(C=1[N+](=NC=C(C1)N)C2=CC=CC=C2)C.S([O-])(=O)(=O)OC O(C=1[N+](=NC=C(C1)N)C2=CC=CC=C2)C.S([O-])(=O)(=O)OC is an azaheterocycle sulfate salt of amezinium. It is a sympathomimetic drug which suppresses noradrenaline reuptake and thereby elevating blood pressure. It is used for the treatment of low blood pressure in patients undergoing dialysis. It has the role of antihypotensive agent . It has the role of sympathomimetic agent . It has the role of adrenergic uptake inhibitor . It has the role of EC 1.4.3.4 (monoamine oxidase) inhibitor . It is also related to or classified as azaheterocycle sulfate salt .
The molecule CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@]1(C)CCc2c(C)c(O)c(C)c(C)c2O1 CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@]1(C)CCc2c(C)c(O)c(C)c(C)c2O1 is an alpha-tocopherol that has R,R,R configuration. The naturally occurring stereoisomer of alpha-tocopherol, it is found particularly in sunflower and olive oils. It has the role of antioxidant . It has the role of antiviral agent . It has the role of micronutrient . It has the role of EC 2.7.11.13 (protein kinase C) inhibitor . It has the role of anticoagulant . It has the role of nutraceutical . It has the role of immunomodulator . It has the role of antiatherogenic agent . It has the role of plant metabolite . It has the role of algal metabolite . It is also related to or classified as alpha-tocopherol .
The molecule S([O-])([O-])(=O)=O.O=C1N=C([NH+](C1)C)N.OC1=CC=2C(CC[NH3+])=CNC2C=C1 S([O-])([O-])(=O)=O.O=C1N=C([NH+](C1)C)N.OC1=CC=2C(CC[NH3+])=CNC2C=C1 is Creatinine sulfate mixture with serotonin. Its functional parent is serotonin . It is also related to or classified as tryptamines .
The molecule O=C1/C(/C(O)=C(C)C([C@]1(O)C)=O)=C(\O)/C=C/C=C/C O=C1/C(/C(O)=C(C)C([C@]1(O)C)=O)=C(\O)/C=C/C=C/C is Oxosorbicillinol (tautomer).  It is also related to or classified as quinone  . It is also related to or classified as benzoquinones .
The molecule OCC(O)COP([O-])([O-])=O OCC(O)COP([O-])([O-])=O is an  organophosphate oxoanion that is the dianion of glycerol 1-phosphate arising from deprotonation of the phosphate OH groups; major species at pH 7.3. It is also related to or classified as organophosphate oxoanion .
The molecule COC(=O)C(CCC(=O)O)N is an alpha-amino acid ester obtained by formal condensation of the alpha-carboxy group of glutamic acid with methanol. It is an alpha-amino acid ester and a glutamic acid derivative.
The molecule CC[C@@H]1[C@@H]([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)C)O)C is an erythromycin that consists of erythronolide B having 2,6-dideoxy-3-C-methyl-3-O-methyl-alpha-L-ribo-hexopyranosyl and 3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyl residues attahced at positions 4 and 6 respectively. It derives from an erythronolide B.
The molecule CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OCCN=[N+]=[N-])CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O is a beta-D-glucoside that is the 2-azidoethyl glycoside of a tetrasaccharide (Streptococcus pneumoniae serotype 14 tetrasaccharide) consisting of at the reducing end an N-acetyl-beta-D-glucosamine residue to which are linked (1->4) and (1->6) respectively a beta-D-glucose residue and a beta-D-galactosyl-(1->4)-beta-D-glucosyl disaccharide unit. It has a role as an antigen. It is a beta-D-glucoside, an azide and a tetrasaccharide derivative.
The molecule CC(C)(C)C1=CC=C(C=C1)CN(C)CC2=CC=CC3=CC=CC=C32 is trimethylamine in which hydrogen atoms attached to different methyl groups are substituted by 1-naphthyl and 4-tert-butylphenyl groups. It is an inhibitor of squalene epoxidase, an enzyme responsible for the creation of sterols needed in fungal cell membranes, and is used as its hydrochloride salt for treatment of dermatological fungal infections. It has a role as an EC 1.14.13.132 (squalene monooxygenase) inhibitor and an antifungal drug. It is a tertiary amine and a member of naphthalenes.
The molecule N1(C([C@H](C1)NC(/C(/C=2C=CC(OCC[C@@H](C(=O)[O-])[NH3+])=CC2)=N\[O-])=O)=O)[C@@H](C([O-])=O)C3=CC=C(C=C3)O N1(C([C@H](C1)NC(/C(/C=2C=CC(OCC[C@@H](C(=O)[O-])[NH3+])=CC2)=N\[O-])=O)=O)[C@@H](C([O-])=O)C3=CC=C(C=C3)O is an oxime anion that is the major structure of isonocardicin A at pH 7.3. It is also related to or classified as oxime anion  . It is also related to or classified as dicarboxylic acid dianion  .
The molecule C1(=CC=CC=C1)S(C=2C=C(S(NC3CCNCC3)(=O)=O)C(=CC2)C(F)(F)F)(=O)=O C1(=CC=CC=C1)S(C=2C=C(S(NC3CCNCC3)(=O)=O)C(=CC2)C(F)(F)F)(=O)=O is A sulfonamide resulting from the formal condensation of the sulfonic acid group of 5-(phenylsulfonyl)-2-(trifluoromethyl)benzenesulfonic acid with the primary amino group of piperidin-4-amine. An inhibitor of secreted Frizzled-Related Protein-1 (sFRP-1). It has the role of secreted frizzled-related protein 1 inhibitor .  It is also related to or classified as sulfonamide  . It is also related to or classified as sulfone  . It is also related to or classified as piperidines , secondary amino compound , (trifluoromethyl)benzenes .
The molecule C1=CC(=CC=C1C2=C(C=C3C(=CC(=O)C=C3O2)[O-])O)O is an organic anion obtained by selective deprotonation of the 3- and 5-hydroxy groups of pelargonidin; major species at pH 7.3. It is a conjugate base of a pelargonidin.
The molecule OCC1COP(O)(=O)O1 OCC1COP(O)(=O)O1 is the 1,2-cyclic phosphate derived from glycerol. Its functional parent is glycerol . It is a conjugate acid of glycerol 1,2-cyclic phosphate(1-) . It is also related to or classified as glycerol phosphate .
The molecule CCOC(=O)NC1=CC2=C(C=C1)SC3=CC=CC=C3N2C(=O)CCN4CCOCC4 is a phenothiazine substituted on the nitrogen by a 3-(morpholin-4-yl)propanoyl group, and at position 2 by an (ethoxycarbonyl)amino group. It has a role as an anti-arrhythmia drug. It is a member of phenothiazines, a member of morpholines and a carbamate ester.
The molecule CC[C@H](/C=C/C=C\\C/C=C\\C=C\\C=C\\[C@H]1[C@@H](O1)CCCC(=O)O)O is a polyunsaturated fatty acid consisting of (7E,9E,11Z,14Z,16E)-icosapentaenoic acid carrying additional (18R)-hydroxy and (5S,6S)-epoxy groups. It has a role as a human blood serum metabolite and a human xenobiotic metabolite. It is an epoxy fatty acid, an icosanoid, a long-chain fatty acid and a hydroxy polyunsaturated fatty acid. It is a conjugate acid of a 5(S),6(S)-epoxy-18(R)-hydroxy-(7E,9E,11Z,14Z,16E)-icosapentaenoate.
The molecule O=C1O[C@H](CCCCCCCCCCCCC[C@H](O[C@@H]2O[C@@H]([C@@H](O)[C@@H]([C@H]2O)O)CO)C)[C@H](C1=C)C(=O)O O=C1O[C@H](CCCCCCCCCCCCC[C@H](O[C@@H]2O[C@@H]([C@@H](O)[C@@H]([C@H]2O)O)CO)C)[C@H](C1=C)C(=O)O is (18R )-18-O-b-D-Glucopyranoside of murolic acid. It is also related to or classified as O-acyl carbohydrate .
The molecule [O-]C(C(CS(=O)[O-])=O)=O [O-]C(C(CS(=O)[O-])=O)=O is A 2-oxo monocarboxylic acid anion  obtained by deprotonation of the carboxy and sulfino groups of 3-sulfinylpyruvic acid. Major microspecies at pH 7.3. It is also related to or classified as 2-oxo monocarboxylic acid anion  . It is also related to or classified as organosulfinate oxoanion  .
The molecule COC1=CC(=CC(=C1O)OC)[C@H]2[C@@H]3CO[C@H]([C@@H]3CO2)C4=CC(=C(C(=C4)OC)O[C@@H](CO)[C@H](C5=C(C(=CC=C5)O)OC)O)OC is a neolignan isolated from the stems of Sinocalamus affinis. It has a role as a plant metabolite. It is a neolignan, a dimethoxybenzene, a primary alcohol, a secondary alcohol, a member of phenols and a furofuran.
The molecule C(CCCCCCCCCCCCC(OCC[N+](C)(C)C)=O)CC C(CCCCCCCCCCCCC(OCC[N+](C)(C)C)=O)CC is an acylcholine obtained by formal condensation of the carboxy group of hexadecanoic acid with the hydroxy group of choline. Its functional parent is hexadecanoic acid . It is also related to or classified as acylcholine  .
The molecule C1=CC=C(C(=C1)N)S(=O)(=O)O is an aminobenzenesulfonic acid carrying an amino group at position 2. It is a conjugate acid of a 2-aminobenzenesulfonate.
The molecule CCCCC/C=C\\C[C@H](C/C=C/C=C/[C@H]([C@H](CCCC(=O)O)O)SC[C@@H](C(=O)O)N)O is a leukotriene with formula C23H39NO6S that results from the metabilism of leukotriene B4 by human keratinocytes. It has a role as a human xenobiotic metabolite. It is a L-cysteine thioether, an amino dicarboxylic acid, a leukotriene, a non-proteinogenic L-alpha-amino acid, a secondary alcohol and a diol. It is a conjugate acid of a (12R)-hydroxy-10,11-dihydroleukotriene E4(1-).
The molecule S(=O)(=O)(O[C@@H]1C(O)(O)[C@]23NC(N)=N[C@H]2[C@H](COC(=O)C)N=C(N3C1)N)O S(=O)(=O)(O[C@@H]1C(O)(O)[C@]23NC(N)=N[C@H]2[C@H](COC(=O)C)N=C(N3C1)N)O is [(3aS,4R,9S,10aS)-2,6-diamino-10,10-dihydroxy-9-sulooxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-4-yl]methyl acetate. It has the role of marine metabolite . It is also related to or classified as organic heterotricyclic compound .
The molecule CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=NC2=O)N)O)O)OC(=O)CCC/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCCC is a CDP-diacylglycerol in which the phosphatidyl acyl groups at positions 1 and 2 are specified as stearoyl and arachidonoyl respectively. It has a role as a human metabolite. It derives from an octadecanoic acid and an arachidonic acid. It is a conjugate base of a CDP-1-palmitoyl-2-arachidonoyl-sn-glycerol. It is a conjugate acid of a CDP-1-stearoyl-2-arachidonoyl-sn-glycerol(2-).
The molecule CC1=C(C(=CC=C1)C2CC2)OC3=NN=C(C=C3OC(=O)N4CCOCC4)Cl is a member of the class of pyridazine that is 3-chloropyridazine which has been substituted at positions 5 and 6 by (morpholin-4-ylcarbonyl)oxy and 2-cyclopropyl-6-methylphenoxy groups, respectively. A selective herbicide used to control broad-leaved and grassy weeds in cereals and rice. It has a role as a herbicide, an agrochemical and an EC 2.5.1.117 (homogentisate solanesyltransferase) inhibitor. It is a member of pyridazines, a carbamate ester, a member of morpholines, an aromatic ether, a member of cyclopropanes and an organochlorine compound.
The molecule Cl.NC(=N)NC(=O)c1nc(Cl)c(N)nc1N Cl.NC(=N)NC(=O)c1nc(Cl)c(N)nc1N is A hydrochloride obtained by combining amiloride with one molar equivalent of hydrochloric acid. It has the role of diuretic . It has the role of sodium channel blocker . It is also related to or classified as hydrochloride .
The molecule [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)C(C)=O [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)C(C)=O is the 3alpha-stereoisomer of 3-hydroxy-5beta-pregnan-20-one. It has the role of sedative . It has the role of intravenous anaesthetic . It has the role of human metabolite . It is also related to or classified as 3alpha-hydroxy steroid  . It is also related to or classified as 3-hydroxy-5beta-pregnan-20-one  .
The molecule C1CSCC2=C1N=C(NC2=O)C3=CC=C(C=C3)CN is a thiopyranopyrimidine that is 1,5,7,8-tetrahydro-4H-thiino[4,3-d]pyrimidin-4-one which is substituted at position 2 by a p-(aminomethyl)phenyl group. It is a thiopyranopyrimidine, an organic sulfide and a primary amino compound.
The molecule O=C(OC)NC1=COC(=C1)C(=O)NC2=COC(=C2)C(=O)NC O=C(OC)NC1=COC(=C1)C(=O)NC2=COC(=C2)C(=O)NC is Proximicin F. It is also related to or classified as heteroarene  . It is also related to or classified as aromatic amide .
The molecule O=C1C2=C3OC(=CC(C3=C(C(=O)O)C=C2C(=O)C=4C1=C(O)C(=CC4)[C@@H]5O[C@H]([C@@H](O[C@@H]6O[C@H]([C@@H](O)[C@H](C6)O)C)[C@H](C5)N(C)C)C)=O)C(O)(C(O)C)C O=C1C2=C3OC(=CC(C3=C(C(=O)O)C=C2C(=O)C=4C1=C(O)C(=CC4)[C@@H]5O[C@H]([C@@H](O[C@@H]6O[C@H]([C@@H](O)[C@H](C6)O)C)[C@H](C5)N(C)C)C)=O)C(O)(C(O)C)C is Pluraflavin E. It is also related to or classified as glycoside  . It is also related to or classified as benzochromenone .
The molecule [H]C(=O)C(O)COP(O)(O)=O [H]C(=O)C(O)COP(O)(O)=O is an aldotriose phosphate that is the 3-phospho derivative of glyceraldehyde. It is an important metabolic intermediate in several central metabolic pathways in all organisms. It has the role of plant metabolite . It has the role of Escherichia coli metabolite . It has the role of human metabolite . Its functional parent is glyceraldehyde . It is a conjugate acid of glyceraldehyde 3-phosphate(2-) . It is also related to or classified as aldehyde  . It is also related to or classified as aldotriose phosphate .
The molecule OC(C)CCCCCCCCCCCCCCCCCCC(=O)[O-] OC(C)CCCCCCCCCCCCCCCCCCC(=O)[O-] is an (omega-1)-hydroxy fatty acid anion resulting from the deprotonation of the carboxy group of 20-hydroxyhenicosanoic acid. The major species at pH 7.3. Its functional parent is henicosanoate . It is also related to or classified as long-chain fatty acid anion  .  It is also related to or classified as (omega-1)-hydroxy fatty acid anion  . It is also related to or classified as straight-chain saturated fatty acid anion .
The molecule C=1(C=CC(OS(O)(=O)=O)=CC1)C=C C=1(C=CC(OS(O)(=O)=O)=CC1)C=C is an  aryl sulfate that is 4-hydroxystyrene in which the hydroxy group has been replaced by a sulfooxy group. It has the role of human xenobiotic metabolite . Its functional parent is 4-hydroxystyrene . It is a conjugate acid of 4-vinylphenol sulfate(1-) . It is also related to or classified as styrenes , aryl sulfate .
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)Cl)[C@@H](C)CO)C)CN(C)C 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)Cl)[C@@H](C)CO)C)CN(C)C is 4-chloro-N-[(3R,9R,10S)-9-[(dimethylamino)methyl]-12-[(2S)-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]benzenesulfonamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CC(=O)NC1C(C([C@H](OC1OP(=O)([O-])[O-])CO)O)O is dianion of N-acetyl-D-hexosamine 1-phosphate arising from deprotonation of both phosphate OH groups. It is a conjugate base of a N-acetyl-D-hexosamine 1-phosphate.
The molecule [C@H]1([C@H](C([C@H]([C@H](C1O)O)OP(=O)(O)O)O)OP(=O)(O)O)O is a myo-inositol bisphosphate in which the two phosphate groups are located at positions 3 and 5 It is a conjugate acid of a 1D-myo-inositol 3,5-bisphosphate(4-).
The molecule C([C@@H]([C@@H]([C@@H](COP(=O)([O-])[O-])O)O)O)NC1=C(C(=O)NC(=N1)N)N is the dianion resulting from the removal of two protons from the phosphate group of 2,5-diamino-6-(1-D-ribitylamino)pyrimidin-4(3H)-one 5'-phosphate. It is an organophosphate oxoanion, an aminopyrimidine, a pyrimidone, a N-glycosyl compound and a ribitol phosphate. It is a conjugate base of a 2,5-diamino-6-(5-phosphono)ribitylamino-4(3H)-pyrimidinone.
The molecule O=C1[C@H]2[C@@](OCC1)(C=C[C@@H]3[C@@H]2CC[C@@H](C3)C)C O=C1[C@H]2[C@@](OCC1)(C=C[C@@H]3[C@@H]2CC[C@@H](C3)C)C is Zosteropenilline D. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule O1C(OC2=C(C(=O)C(O)CC3=CC(CC=C(C)C)=C(O)C=C3)C=C(C(O)=C2)CC=C(C)C)C(O)C(O)C(O)C1C(O)=O O1C(OC2=C(C(=O)C(O)CC3=CC(CC=C(C)C)=C(O)C=C3)C=C(C(O)=C2)CC=C(C)C)C(O)C(O)C(O)C1C(O)=O is 3,4,5-trihydroxy-6-(5-hydroxy-2-{2-hydroxy-3-[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]propanoyl}-4-(3-methylbut-2-en-1-yl)phenoxy)oxane-2-carboxylic acid. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule C[C@@H]1CC[C@@H]2[C@]13CC([C@@H]([C@H]3C=C2C(=O)[O-])O)(C)C is a hydroxy monocarboxylic acid anion that is the conjugate base of pentalenic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is a conjugate base of a pentalenic acid.
The molecule F[Fe-](F)(F)F F[Fe-](F)(F)F is tetrafluoroferrate(1-). It is also related to or classified as iron coordination entity , perfluorometallate anion .
The molecule C(C(C(=O)O)[NH3+])O is an alpha-amino-acid cation that is the conjugate acid of serine. It has a role as a fundamental metabolite. It is a conjugate acid of a serine.
The molecule CC(C)(C#N)c1cc(Cn2cncn2)cc(c1)C(C)(C)C#N CC(C)(C#N)c1cc(Cn2cncn2)cc(c1)C(C)(C)C#N is A 1,2,4-triazole compound having a 3,5-bis(2-cyano-2-propyl)benzyl group at the 1-position. It has the role of antineoplastic agent . It has the role of EC 1.14.14.14 (aromatase) inhibitor . It is also related to or classified as nitrile  . It is also related to or classified as triazoles .
The molecule NCCC(O)=O NCCC(O)=O is A naturally-occurring beta-amino acid comprising propionic acid with the amino group in the 3-position. It has the role of neurotransmitter . It has the role of inhibitor . It has the role of agonist . It has the role of human metabolite . It has the role of fundamental metabolite . It is a conjugate acid of beta-alaninate . It is also related to or classified as beta-amino acid .
The molecule CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC1=C(C(=CC(=C1)O)OC)O)/C)/C)/C)/C)/C)C is a polyprenylhydroquinone in which the polyprenyl substituent is hexaprenyl at C-2; an additional methoxy group is also present at C-6. It is a 2-methoxy-6-all-trans-polyprenylhydroquinone and a member of hydroquinones.