anonymous041/ChEBI-Augmented huggingface dataset:
The molecule CC(=O)NO CC(=O)NO is A member of the class of acetohydroxamic acids that is acetamide in which one of the amino hydrogens has been replaced by a hydroxy group. It has the role of EC 3.5.1.5 (urease) inhibitor . It has the role of algal metabolite . Its functional parent is acetamide . It is also related to or classified as acetohydroxamic acids .
The molecule [C@@H]1([C@@H]([C@@H]([C@@H]([C@H]([C@@H]1O)O)O)O)OP(OC[C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)OC(=O)CCCCCCC/C=C\CCCCCCCC)(=O)[O-])O [C@@H]1([C@@H]([C@@H]([C@@H]([C@H]([C@@H]1O)O)O)O)OP(OC[C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)OC(=O)CCCCCCC/C=C\CCCCCCCC)(=O)[O-])O is 1,2-dioleoyl-sn-glycero-3-phospho-1D-myo-inositol(1-). It is also related to or classified as phosphatidylinositol 36:2(1-)  . It is also related to or classified as 1-acyl-2-oleoyl-sn-glycero-3-phospho-1D-myo-inositol(1-)  .
The molecule C1=CC(=CC=2C(=CNC12)CCNC(C)=O)O C1=CC(=CC=2C(=CNC12)CCNC(C)=O)O is an N-acylserotonin resulting from the formal condensation of the primary amino group of serotonin with the carboxy group of acetic acid. It has the role of tropomyosin-related kinase B receptor agonist . It has the role of antioxidant . It has the role of mouse metabolite . It has the role of human metabolite . It is also related to or classified as N-acylserotonin  .  It is also related to or classified as phenols  . It is also related to or classified as acetamides .
The molecule C12=C(NC(=O)N=C1NC(=O)N2)[O-].[Na+] is monosodium urate (MSU) or uric acid is the aetiological agent of the acute inflammatory condition gout. It is an organic molecular entity and an imidazopyrimidine.
The molecule O=C1OC(=O)c2ccccc12 O=C1OC(=O)c2ccccc12 is the cyclic dicarboxylic anhydride that is the anhydride of phthalic acid. It has the role of allergen . It is also related to or classified as cyclic dicarboxylic anhydride , 2-benzofurans .
The molecule C12=C3C(=CC=C1C=CC4=C2C=CC=C4)C=CC=C3 C12=C3C(=CC=C1C=CC4=C2C=CC=C4)C=CC=C3 is an ortho-fused polycyclic arene resulting from the symmetrical fusion of the C1-C2 bonds of two naphthalene units. It is also related to or classified as benzenoid aromatic compound , ortho-fused polycyclic arene .
The molecule C[C@H]1[C@@H]([C@@H](Oc2ccc(O)cc12)c1ccc(OCCN2CCCC2)cc1)c1ccc(O)cc1 C[C@H]1[C@@H]([C@@H](Oc2ccc(O)cc12)c1ccc(OCCN2CCCC2)cc1)c1ccc(O)cc1 is A chromanol that is chroman-6-ol which is substituted at positions 2, 3, and 4 by p-(2-pyrrolidin-1-ylethoxy)phenyl, p-hydroxyphenyl, and methyl groups, respectively (the 2R,3R,4S diastereoisomer). It is also related to or classified as chromanol , N-alkylpyrrolidine .
The molecule C([C@H](C(=O)[O-])[NH3+])O is a serine zwitterion obtained by transfer of a proton from the carboxy to the amino group of D-serine. It is an enantiomer of a L-serine zwitterion. It is a tautomer of a D-serine.
The molecule C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CN(C=N3)C)[C@@H](C)CO)C)CN(C)S(=O)(=O)C4=CC=C(C=C4)OC C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CN(C=N3)C)[C@@H](C)CO)C)CN(C)S(=O)(=O)C4=CC=C(C=C4)OC is N-[(3R,9R,10S)-12-[(2S)-1-hydroxypropan-2-yl]-9-[[(4-methoxyphenyl)sulfonyl-methylamino]methyl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-1-methyl-4-imidazolesulfonamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CCNC1=NC(=NC(=N1)OC)NCC is a methoxy-1,3,5-triazine that is 6-methoxy-1,3,5-triazine-2,4-diamine in which one of the hydrogens of each amino group has been replaced by an ethyl group. It has a role as a herbicide, a xenobiotic and an environmental contaminant. It is a methoxy-1,3,5-triazine and a diamino-1,3,5-triazine. It derives from a 6-methoxy-1,3,5-triazine-2,4-diamine.
The molecule CC#C CC#C is propyne.  It is also related to or classified as alkyne  . It is also related to or classified as terminal acetylenic compound  . It is also related to or classified as gas molecular entity .
The molecule O[C@H](COP(O)(O)=O)[C@@H](O)[C@](O)(COP(O)(O)=O)C(O)=O O[C@H](COP(O)(O)=O)[C@@H](O)[C@](O)(COP(O)(O)=O)C(O)=O is 2-carboxy-D-arabinitol 1,5-bisphosphate. Its functional parent is 2-carboxy-D-arabinitol . Its functional parent is D-ribonic acid . It is also related to or classified as ribonic acid phosphate .
The molecule C12=C3C(=CC=C1C=CC4=C2C=CC(=C4)O)C=CC=C3 C12=C3C(=CC=C1C=CC4=C2C=CC(=C4)O)C=CC=C3 is A hydroxybenzo[c]phenanthrene that is benzo[c]phenanthrene in which the hydrogen at position 3 has been replaced by a hydroxy group. It has the role of xenobiotic metabolite . It is also related to or classified as hydroxybenzo[c]phenanthrene .
The molecule C1=C(C=C(C2=C1C(=O)C(=O)C(=C2O)C3=C(C4=C(C=C(C=C4O)O)C(=O)C3=O)O)O)O is a ring assembly compound consisting of two flaviolin units joined by a 3,3'-linkage. It derives from a flaviolin. It is a conjugate acid of a 3,3'-biflaviolin 2,2'-diolate.
The molecule C1C2(CN1CC3=CC4=C(C=C3)OCO4)[C@@H]([C@H](N2CC5=CC=CC=C5)CO)C6=CC=CC=C6 C1C2(CN1CC3=CC4=C(C=C3)OCO4)[C@@H]([C@H](N2CC5=CC=CC=C5)CO)C6=CC=CC=C6 is [(2S,3R)-6-(1,3-benzodioxol-5-ylmethyl)-3-phenyl-1-(phenylmethyl)-1,6-diazaspiro[3.3]heptan-2-yl]methanol. It is also related to or classified as benzenes , ring assembly , azetidines .
The molecule CCC#C CCC#C is A terminal acetylenic compound that is butane carrying a triple bond at position 1. It is also related to or classified as alkyne  . It is also related to or classified as terminal acetylenic compound  .
The molecule C[C@H](N)CO C[C@H](N)CO is A 2-aminopropan-1-ol that has S-configuration. It is also related to or classified as 2-aminopropan-1-ol  .
The molecule CC[C@H](C)[C@H]1C(=O)N2CCC[C@H]2C(=O)O[C@@H](C[C@H](C/C=C\\C3=N[C@@H](CCC(=O)N[C@H](C(=O)N([C@H](C(=O)N1C)C)C)CC4=CC=C(C=C4)OC)CS3)C)C(C)(C)C is an aprotoxin having the common aprotoxin cyclodepsipeptide skeleton with a double bond in the polyketide unit. It is isolated from Lyngbya bouillonii and exhibits cytotoxic activity against several cancer cell lines derived from colon, cervix, and bone. It has a role as a metabolite and an antineoplastic agent.
The molecule C=1C(OC2=C(C1)C=C([C@@H](O)[C@H](O)C(O)(C)C)C(=C2)OC)=O C=1C(OC2=C(C1)C=C([C@@H](O)[C@H](O)C(O)(C)C)C(=C2)OC)=O is A member of the class of coumarins that is 7-methoxycoumarin in which the hydrogen at position 6 has been replaced by a 1,2,3-trihydroxy-3-methylbutyl group (the 1R,2S stereoisomer). Originally isolated from the roots of Angelica pubescens, angelitriol shows strong inhibitory effects on human platelet aggregation. It has the role of platelet aggregation inhibitor . It has the role of plant metabolite . It is also related to or classified as coumarins , triol , aromatic ether .
The molecule CN1CCC[C@@H]1CC(C)=O CN1CCC[C@@H]1CC(C)=O is A 1-(1-methylpyrrolidin-2-yl)acetone that has R configuration. It is a pyrrolidine alkaloid found in the coca plant, Erythroxylum coca. It has the role of plant metabolite .  It is also related to or classified as 1-(1-methylpyrrolidin-2-yl)acetone  . It is also related to or classified as pyrrolidine alkaloid .
The molecule C1=CC=C(C=C1)COC(=O)C2=CC=CC=C2C(=O)O is a phthalic acid monoester resulting from the formal condensation of one of the carboxy groups of phthalic acid with the hydroxy group of benzyl alcohol. It is a major metabolite of the plasticiser butyl benzyl phthalate (BBP). It has a role as a xenoestrogen and a xenobiotic metabolite. It derives from a benzyl alcohol.
The molecule C[C@@H](N)CO C[C@@H](N)CO is A 2-aminopropan-1-ol that has R-configuration. It is also related to or classified as 2-aminopropan-1-ol  .
The molecule C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=NC=C3)[C@H](C)CO)C)CN(C)C(=O)C4=CC=NC=C4 C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=NC=C3)[C@H](C)CO)C)CN(C)C(=O)C4=CC=NC=C4 is N-[(3R,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo(pyridin-4-yl)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-pyridinecarboxamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C[C@@]12CCC[C@@]3([C@@H]1[C@@H]([C@]45[C@H]3CC[C@](C4)(C(=C)C5)O)C(=O)O)OC2=O is a C19-gibberellin that is a pentacyclic diterpenoid responsible for promoting growth and development. Initially identified in Gibberella fujikuroi, it differs from gibberellin A1 in lacking an OH group at C-2 (gibbane numbering). It has a role as a plant metabolite and a mouse metabolite. It is a lactone, a gibberellin monocarboxylic acid and a C19-gibberellin. It is a conjugate acid of a gibberellin A20(1-).
The molecule c1ccc2c(c1)ccc1c3ccccc3ccc21 c1ccc2c(c1)ccc1c3ccccc3ccc21 is an ortho-fused polycyclic arene found commonly in the coal tar. It has the role of plant metabolite . It is also related to or classified as ortho-fused polycyclic arene .
The molecule [H][C@@]12Cc3c[nH]c4cccc(C1=C[C@@H](COC(=O)C1CCCCC1)CN2C)c34 [H][C@@]12Cc3c[nH]c4cccc(C1=C[C@@H](COC(=O)C1CCCCC1)CN2C)c34 is lysergol esterified with cyclohexanecarboxylic acid. It is also related to or classified as cyclohexanecarboxylate ester .
The molecule C1=CC2=C(C=C1O)C(=O)C3=C(O2)C(=C(C=C3O)O)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O is a C-glycosyl compound that is 9H-xanthen-9-one substituted by hydroxy groups at positions 1, 3, and 7 and a 1,5-anhydro-D-glucitol moiety at position 1. It has a role as a plant metabolite. It is a member of xanthones, a C-glycosyl compound and a polyphenol.
The molecule CC1=C/C(=C(\\C2=CC=C(C=C2)N)/C3=CC(=C(C=C3)N)C)/C=CC1=N.Cl is a hydrochloride that is the monohydrochloride of 4-[(4-aminophenyl)(4-iminocyclohexa-2,5-dien-1-ylidene)methyl]-2-methylaniline. One of the minor constituents of Basic fuchsin, together with pararosanilin, rosanilin and new fuchsin. It has a role as a histological dye and a fluorochrome. It contains a magenta II(1+).
The molecule CCCCC(C)N CCCCC(C)N is A primary aliphatic amine that is hexane substituted by an amino group at position 2. It is also related to or classified as primary aliphatic amine  .
The molecule C1=CC(=CC=C1C[C@H](C(=O)O)N)[OH+] is a tyrosinyl radical cation. It derives from a D-tyrosine. It is a conjugate acid of a D-tyrosinyl radical. It is an enantiomer of a L-tyrosinyl radical cation.
The molecule O1[C@](CC2=C1C=C3OC(=O)C=CC3=C2)(C(C)(C)O)[H] O1[C@](CC2=C1C=C3OC(=O)C=CC3=C2)(C(C)(C)O)[H] is A marmesin with R-configuration. It has the role of xenobiotic metabolite . It has the role of plant metabolite . It has the role of rat metabolite . It is also related to or classified as marmesin  .
The molecule COCC(=O)N1[C@@H]([C@@H]([C@H]1CO)C2=CC=CC=C2)CNC(=O)C3=CC=CC=N3 COCC(=O)N1[C@@H]([C@@H]([C@H]1CO)C2=CC=CC=C2)CNC(=O)C3=CC=CC=N3 is N-[[(2S,3S,4S)-4-(hydroxymethyl)-1-(2-methoxy-1-oxoethyl)-3-phenyl-2-azetidinyl]methyl]-2-pyridinecarboxamide. It is also related to or classified as benzenes , ring assembly , azetidines .
The molecule CCCCCC(=O)OCCC(C)C is a fatty acid ester obtained by the formal condensation of the carboxy group of hexanoic acid (caproic acid) with the alcoholic hydroxy group of 3-methylbutan-1-ol (isoamylol). It has a role as a metabolite and a fragrance. It derives from an isoamylol.
The molecule O1[C@@]2([C@@]3([C@@]45[C@]([C@]6([C@]([C@@](O[C@]14[H])(C5)[H])([C@@]7([C@@](CC6)(C[C@H](OC(=O)C)CC7)[H])C)[H])[H])(C[C@@]3(OC82OC(C(C8)C)(C)C)[H])[H])[H])C O1[C@@]2([C@@]3([C@@]45[C@]([C@]6([C@]([C@@](O[C@]14[H])(C5)[H])([C@@]7([C@@](CC6)(C[C@H](OC(=O)C)CC7)[H])C)[H])[H])(C[C@@]3(OC82OC(C(C8)C)(C)C)[H])[H])[H])C is Hippuristanolide. It is also related to or classified as steroid  . It is also related to or classified as oxaspiro compound .
The molecule C1[C@@H]([C@H](OC1O)COP(=O)([O-])[O-])O is an organophosphate oxoanion obtained by deprotonation of the phosphate OH groups of 2-deoxy-D-ribose 5-monophosphate; major microspecies at pH 7.3. It is a conjugate base of a 2-deoxy-D-ribofuranose 5-phosphate.
The molecule CCCCCCCCN CCCCCCCCN is an 8-carbon primary aliphatic amine. It has the role of metabolite . It is also related to or classified as primary aliphatic amine  .
The molecule CCCCCCCCCCCCCC(=O)NCCS(=O)(=O)[O-] is a fatty acid-taurine conjugate obtained by deprotonation of the sulfonate group of N-tetradecanoyltaurine; major species at pH 7.3. It is a conjugate base of a N-tetradecanoyltaurine.
The molecule CC1(C=CC2=C(O1)C=CC(=C2O)C3=CC4=C(O3)C=C(C=C4)O)C is a chromenol that is 2,2-dimethyl-2H-chromen-5-ol substituted by a 6-hydroxy-1-benzofuran-2-yl group at position 6. It has a role as a plant metabolite. It is a member of 1-benzofurans and a chromenol.
The molecule O=C(N[C@@H](CCCCN)C(O)=O)[C@@H](N)C O=C(N[C@@H](CCCCN)C(O)=O)[C@@H](N)C is A dipeptide obtained by formal condensation of the carboxy group of L-alanine with the alpha-amino group of L-lysine. It has the role of marine metabolite . It is also related to or classified as dipeptide  .
The molecule [H+].[H+].[O-]C(=O)\C=C/C([O-])=O.[H][C@@]12Cc3c[nH]c4cccc(C1=C[C@@H](COC(=O)C1CCCCC1)CN2C)c34 [H+].[H+].[O-]C(=O)\C=C/C([O-])=O.[H][C@@]12Cc3c[nH]c4cccc(C1=C[C@@H](COC(=O)C1CCCCC1)CN2C)c34 is the hydrogenmaleate salt of O-(cyclohexanecarbonyl)lysergol. It is also related to or classified as maleate salt .
The molecule CCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCC is a 1,2-diacyl-sn-glycero-3-phosphoethanolamine in which the 1- and 2-acyl groups are specified as docosanoyl and tetradecanoyl respectively. It has a role as a mouse metabolite and a rat metabolite. It is a 1,2-diacyl-sn-glycero-3-phosphoethanolamine and a phosphatidylethanolamine 36:0. It derives from a docosanoic acid and a tetradecanoic acid.
The molecule CCCCCCN CCCCCCN is A 6-carbon primary aliphatic amine. It has the role of metabolite . It is also related to or classified as primary aliphatic amine  .
The molecule C1=CC=C(C=C1)[C@@H](C(=O)O)O is a (2S)-2-hydroxy monocarboxylic acid and a mandelic acid. It is a conjugate acid of a (S)-mandelate. It is an enantiomer of a (R)-mandelic acid.
The molecule C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)([O-])OP(=O)([O-])OP(=O)(O)[O-])O is a 2'-deoxyribonucleoside triphosphate oxoanion arising from deprotonation of three of the four triphosphate OH groups of 2'-deoxyuridine 5'-triphosphate; major species at pH 7.3. It has a role as a Saccharomyces cerevisiae metabolite. It is a conjugate base of a dUTP. It is a conjugate acid of a dUTP(4-).
The molecule C1C(C=CC(C1SCC(C(=O)O)N)(CC(=O)O)O)O is a cysteine derivative that is cysteine in which the thiol group is substituted by a [2-(carboxymethyl)-2,5-dihydroxycyclohex-3-en-1-yl]sulfanediyl group. Hawkinsinuria is an inherited disorder which is characterized by the inability to break down the amino acid tyrosine. This results in the finding of certain metabolites in the urine, such as hawkinsin. It has a role as a biomarker and a human urinary metabolite. It is a dicarboxylic acid, a cysteine derivative, a cycloalkene, a diol, a tertiary allylic alcohol and a secondary allylic alcohol.
The molecule C1CCN2[C@H](CN(C1)C(=O)NC3=CC(=CC=C3)F)[C@H]([C@H]2CO)C4=CC=C(C=C4)C#CC5=CN=CC=C5 C1CCN2[C@H](CN(C1)C(=O)NC3=CC(=CC=C3)F)[C@H]([C@H]2CO)C4=CC=C(C=C4)C#CC5=CN=CC=C5 is (8S,9R,10S)-N-(3-fluorophenyl)-10-(hydroxymethyl)-9-[4-[2-(3-pyridinyl)ethynyl]phenyl]-1,6-diazabicyclo[6.2.0]decane-6-carboxamide. It is also related to or classified as benzenes , ring assembly , azetidines .
The molecule CC(N)CO CC(N)CO is an amino alcohol that is alanine in which the carboxy group has been reduced to the corresponding alcohol. It is also related to or classified as primary alcohol  . It is also related to or classified as amino alcohol , primary amino compound .
The molecule [C@H]1([C@H](C([C@H]([C@@H](C1O)N=C(N)N)O)O)O)N=C(N)N is an amino cyclitol that is scyllo-inositol in which the hydroxy groups at positions 1 and 3 are replaced by guanidino groups. It has a role as a metabolite. It is a member of guanidines and an amino cyclitol. It derives from a scyllo-inositol.
The molecule NC1C(=O)C=CC=C1C([O-])=O NC1C(=O)C=CC=C1C([O-])=O is A 4-oxo monocarboxylic acid anion that is 2,3-dihydro-3-oxo tautomer of 3-hydroxyanthranilate and results from the removal of a proton from the carboxylic acid group of 2,3-dihydro-3-oxoanthranilic acid. It is also related to or classified as 4-oxo monocarboxylic acid anion , oxo monocarboxylic acid anion .
The molecule C[C@H](CC[C@@H]1OC1(C)C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C C[C@H](CC[C@@H]1OC1(C)C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C is A 3beta-hydroxy-Delta(5)-steroid that is desmosterol in which the double bond at position 24-25 has been oxidised to the corresponding epoxide (the 24S diastereoisomer). It is an oxysterol agonist of the liver X receptor. It has the role of liver X receptor agonist . Its functional parent is desmosterol .  It is also related to or classified as 3beta-hydroxy-Delta(5)-steroid  . It is also related to or classified as epoxy steroid , cholestanoid .
The molecule CC1=C2[C@@H]([C@@H]3[C@@H]([C@H](C1)OC(=O)CC4=CC=C(C=C4)O)C(=C)C(=O)O3)C(=CC2=O)COC(=O)C(=O)O is a sesquiterpene lactone obtained by formal condensation of one of the carboxy groups of oxalic acid with the 15-hydroxy group of lactucopicrin. Found in chicory. It has a role as a plant metabolite. It is an azulenofuran, a cyclic terpene ketone, an enone, a sesquiterpene lactone, an oxo monocarboxylic acid and a member of phenols. It derives from a lactucin, an oxalic acid and a 4-hydroxyphenylacetic acid.
The molecule CCCCc1ncc(\C=C(/Cc2cccs2)C(O)=O)n1Cc1ccc(cc1)C(O)=O CCCCc1ncc(\C=C(/Cc2cccs2)C(O)=O)n1Cc1ccc(cc1)C(O)=O is A member of the class of  imidazoles and  thiophenes  that is an angiotensin II receptor antagonist used for the treatment of high blood pressure. It has the role of antihypertensive agent . It has the role of xenobiotic . It has the role of angiotensin receptor antagonist . It has the role of environmental contaminant . It is also related to or classified as imidazoles , thiophenes , dicarboxylic acid .
The molecule OC[C@H](O)[C@@H](O)[C@H](O)C(=O)C([O-])=O OC[C@H](O)[C@@H](O)[C@H](O)C(=O)C([O-])=O is 2-dehydro-L-idonate. Its functional parent is L-gulonate . Its functional parent is L-idonate . It is also related to or classified as 2-oxo monocarboxylic acid anion  .
The molecule CC(CN)C(=O)[O-] is a beta-amino acid anion that is the conjugate base of 3-aminoisobutyric acid, arising from deprotonation of the carboxy group. It has a role as a metabolite. It is a conjugate base of a 3-aminoisobutyric acid and a 3-aminoisobutanoic acid zwitterion.
The molecule [H][C@@]12CC[C@@]3([H])C(C)(C)CCC[C@]3(C)[C@@]1([H])CC[C@@](C)(CC)C2 [H][C@@]12CC[C@@]3([H])C(C)(C)CCC[C@]3(C)[C@@]1([H])CC[C@@](C)(CC)C2 is pimarane. It is also related to or classified as diterpene  . It is also related to or classified as terpenoid fundamental parent .
The molecule CC(C)=CCC\C(C)=C/COP([O-])(=O)OP([O-])([O-])=O CC(C)=CCC\C(C)=C/COP([O-])(=O)OP([O-])([O-])=O is an organophosphate oxoanion that is the trianion of neryl diphosphate, arising from deprotonation of the diphosphate OH groups; major species at pH 7.3. It is also related to or classified as organophosphate oxoanion .
The molecule CC(C)(O)CC(=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)(O)CC(=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 A hydroxy fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 3-hydroxyisovaleric acid. It has the role of mouse metabolite . Its functional parent is butyryl-CoA . Its functional parent is 3-hydroxyisovaleric acid . It is a conjugate acid of 3-hydroxyisovaleryl-CoA(4-) . It is also related to or classified as 3-hydroxy fatty acyl-CoA  . It is also related to or classified as hydroxybutanoyl-CoA , methylbutanoyl-CoA .
The molecule CCOC(=O)[C@@]1(C)OC(=O)N(C1=O)c1cc(Cl)cc(Cl)c1 CCOC(=O)[C@@]1(C)OC(=O)N(C1=O)c1cc(Cl)cc(Cl)c1 is an ethyl 3-(3,5-dichlorophenyl)-5-methyl-2,4-dioxo-1,3-oxazolidine-5-carboxylate that is the (S)-enantiomer of chlozolinate. It is also related to or classified as ethyl 3-(3,5-dichlorophenyl)-5-methyl-2,4-dioxo-1,3-oxazolidine-5-carboxylate  .
The molecule CN(C)c1ccc(cc1)C(=C1C=CC(C=C1)=[N+](C)C)c1ccc(cc1)N(C)C CN(C)c1ccc(cc1)C(=C1C=CC(C=C1)=[N+](C)C)c1ccc(cc1)N(C)C is an iminium ion that is malachite green cation in which the hydrogen at the para- psition of the monosubstituted phenyl group is replaced by a dimethylamino group. It has the role of antibacterial agent . It has the role of antifungal agent . It is also related to or classified as iminium ion .
The molecule CC(=O)C[C@@H](C1=CC=CC=C1)C2=C(C3=CC=CC=C3OC2=O)[O-].[K+] is an organic potassium salt having 2-oxo-3-[(1S)-3-oxo-1-phenylbutyl]-2H-1-benzopyran-4-olate as the counterion (the racemate is warfarin potassium, an anticoagulant drug and rodenticide). It contains a (S)-warfarin(1-). It is an enantiomer of a (R)-warfarin potassium.
The molecule CCCCCCCCC(O)CCCCCCC CCCCCCCCC(O)CCCCCCC is A secondary fatty alcohol that is hexadecane substituted by a hydroxy group at position 8. It is also related to or classified as secondary fatty alcohol  . It is also related to or classified as hexadecanol .
The molecule CC1=CC2=C(C=C1)N=C3C(C2=O)(CCN3C4=CC=CC=C4)O is a pyrroloquinoline that is 1,2,3,3a-tetrahydro-H-pyrrolo[2,3-b]quinolin-4-one substituted by a hydroxy group at position 3a, a methyl group at position 6 and a phenyl group at position 1. It acts as an inhibitor of ATPase activity of non-muscle myosin II. It has a role as an inhibitor. It is a pyrroloquinoline, a cyclic ketone, a tertiary alcohol and a tertiary alpha-hydroxy ketone.
The molecule O(C=1C2=C3C(N(C(=O)C(=O)C3=CC1OC)C)=CC=4C2=CC=CC4)C O(C=1C2=C3C(N(C(=O)C(=O)C3=CC1OC)C)=CC=4C2=CC=CC4)C is Cepharadione B. Its functional parent is aporphine . It is also related to or classified as isoquinoline alkaloid .
The molecule C(CCCCCCCCCC(=O)O)CCCCCCCCC(=O)O is an alpha,omega-dicarboxylic acid that is the 1,18-dicarboxy derivative of octadecane. It has a role as a metabolite. It is a conjugate acid of an icosanedioic acid anion. It derives from a hydride of an icosane.
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)C(F)(F)F)[C@H](C)CO)C)CN(C)S(=O)(=O)C4=C(ON=C4C)C C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC=C(C=C3)C(F)(F)F)[C@H](C)CO)C)CN(C)S(=O)(=O)C4=C(ON=C4C)C is 1-[(3S,9R,10R)-9-[[(3,5-dimethyl-4-isoxazolyl)sulfonyl-methylamino]methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-[4-(trifluoromethyl)phenyl]urea. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C(\CC)=C\C/C=C\C[C@@H](/C=C/C=C\C/C=C\CCCC(=O)O)O C(\CC)=C\C/C=C\C[C@@H](/C=C/C=C\C/C=C\CCCC(=O)O)O is A 12-HEPE that consists of (5Z,8Z,10E,14Z,17Z)-icosapentaenoic acid in which the 12-hydroxy group has S-configuration. It has the role of mouse metabolite . It has the role of human xenobiotic metabolite . It has the role of rat metabolite . It is a conjugate acid of 12(S)-HEPE(1-) . It is also related to or classified as 12-HEPE  .
The molecule CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@@H]2[C@H](OC([C@@H]([C@H]2O)NC(=O)C)O)CO)CO)O[C@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO[C@@H]5[C@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O[C@@H]6[C@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)O[C@@H]7[C@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O)O)O[C@@H]8[C@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O[C@@H]9[C@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O)O is a high-mannose oligosaccharide consisting of one D-glucosyl residue, eight D-mannosyl residues and two N-acetylglucosamine residues, one of which is at the reducing end. It is a N-glycan derivative and a high-mannose oligosaccharide.