anonymous041/ChEBI-Augmented huggingface dataset:
The molecule C(CCCCCCCC)CC[C@@H](CC(=O)[O-])O C(CCCCCCCC)CC[C@@H](CC(=O)[O-])O is A (3S)-3-hydroxy fatty acid anion resulting from the deprotonation of the carboxy group of (3S)-3-hydroxytetradecanoic acid. The major species at pH 7.3. It is also related to or classified as long-chain fatty acid anion  .
The molecule C1C[C@@H](C([C@]2([C@]1([C@@]3([C@]4([C@@H](C2)O4)[C@@]5([C@@](CC3)([C@@](CC5)([C@@H]6C[C@@H](OC6O)[C@H]7C(C)(C)O7)[H])C)C)[H])C)[H])(C)C)O C1C[C@@H](C([C@]2([C@]1([C@@]3([C@]4([C@@H](C2)O4)[C@@]5([C@@](CC3)([C@@](CC5)([C@@H]6C[C@@H](OC6O)[C@H]7C(C)(C)O7)[H])C)C)[H])C)[H])(C)C)O is 7,8-epoxymelianol.  It is also related to or classified as epoxide  . It is also related to or classified as tetracyclic triterpenoid , organic heteroheptacyclic compound .
The molecule NC(=O)Nc1[nH]c(=O)[nH]c1O NC(=O)Nc1[nH]c(=O)[nH]c1O is an imidazolidinone that is imidazolin-2-one substituted at positions 4 and 5 by hydroxy and ureido groups respectively. Its functional parent is hydantoin . It is also related to or classified as ureas , imidazolidinone .
The molecule CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCC is a phosphatidylcholine 34:0 in which the two acyl substituents at positions 1 and 2 are specified as stearoyl and palmitoyl respectively. It is a phosphatidylcholine 34:0 and a 1-acyl-2-hexadecanoyl-sn-glycero-3-phosphocholine. It derives from an octadecanoic acid.
The molecule C(CCCCCCCCCC)CCCCC(OP([O-])(=O)[O-])=O C(CCCCCCCCCC)CCCCC(OP([O-])(=O)[O-])=O is an acyl monophosphate(2-) in which the acyl group is specified as hexadecanoyl (palmitoyl), major species at pH 7.3. It is also related to or classified as acyl monophosphate(2-)  .
The molecule C([C@@H]([C@H]([C@@H](C(=O)C(=O)[O-])O)O)O)O is a 2-oxo monocarboxylic acid anion. It derives from a L-idonate and a L-gulonate. It is a conjugate base of a 2-dehydro-L-idonic acid.
The molecule O1C(C2C(C(OC2)C3=CC(OC)=C(O)C(OC)=C3)C1)C4=CC(OC)=C(OC5OC(C(O)C(O)C5O)CO)C(OC)=C4 O1C(C2C(C(OC2)C3=CC(OC)=C(O)C(OC)=C3)C1)C4=CC(OC)=C(OC5OC(C(O)C(O)C5O)CO)C(OC)=C4 is (+)-7-epi-Syringaresinol 4'-glucoside. It is also related to or classified as glycoside  . It is also related to or classified as lignan  .
The molecule C[C@H]1CC=C2[C@H]1C[C@@H](CC[C@@]2(C)OO)C(=C)C is a guaiane sesquiterpenoid that is guaia-1,11-diene substituted by a alpha-hydroperoxy group at position 10. Isolated from Pogostemon cablin, it exhibits trypanocidal activity. It has a role as a metabolite and a trypanocidal drug. It is a peroxol and a guaiane sesquiterpenoid.
The molecule C1=NN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O is a N-glycosyl-1,2,4-triazine that is the 6-aza analogue of uridine 5'-monophosphate. It has a role as an antineoplastic agent and an EC 4.1.1.23 (orotidine-5'-phosphate decarboxylase) inhibitor. It is a N-glycosyl-1,2,4-triazine and a nucleoside monophosphate analogue. It derives from a 6-azauridine. It is a conjugate acid of a 6-azauridine 5'-monophosphate(2-).
The molecule [H][C@@]1(CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)C1CC3=O)[C@H](C)C[C@H](O)\C=C(/C)C([O-])=O [H][C@@]1(CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)C1CC3=O)[C@H](C)C[C@H](O)\C=C(/C)C([O-])=O is A steroid acid anion that is the conjugate base of hainanic acid A resulting from the deprotonation of the carboxy group; major species at pH 7.3. It is also related to or classified as dioxo monocarboxylic acid anion , hydroxy monocarboxylic acid anion , steroid acid anion .
The molecule C(CCCNC=1C2=CC=CC=C2N=C3CCCCC31)CCCNC=4C5=CC=CC=C5N=C6CCCCC64 C(CCCNC=1C2=CC=CC=C2N=C3CCCCC31)CCCNC=4C5=CC=CC=C5N=C6CCCCC64 is A secondary amino compound consisting of two molecules of tacrine that are linked together through their exocyclic amino groups by a heptane-1,7-diyl chain. Bis(7)-tacrine is an acetylcholinesterase (AChE)inhibitor (IC50 0.40 nM, >1,000 times more potent than tacrine). It has also been found to protect against H2O2 -induced apoptosis in rat pheochromocytoma cells. It has the role of EC 3.1.1.7 (acetylcholinesterase) inhibitor . It has the role of EC 1.14.13.39 (nitric oxide synthase) inhibitor . It has the role of neuroprotective agent . It has the role of apoptosis inhibitor . Its functional parent is tacrine . It is also related to or classified as secondary amino compound .
The molecule COC(=O)[C@@H](C)N(C(=O)Cc1ccccc1)c1c(C)cccc1C COC(=O)[C@@H](C)N(C(=O)Cc1ccccc1)c1c(C)cccc1C is A methyl N-(2,6-dimethylphenyl)-N-(phenylacetyl)alaninate that is the more active R-enantiomer of benalaxyl. It is also related to or classified as methyl N-(2,6-dimethylphenyl)-N-(phenylacetyl)alaninate  . It is also related to or classified as D-alanine derivative , acylamino acid fungicide , anilide fungicide .
The molecule CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]2[C@H](O)[C@@H](NC(C)=O)[C@H](OC[C@H]3O[C@H](O)[C@H](NC(C)=O)[C@@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3O)O[C@@H]2CO)[C@@H]1O CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]2[C@H](O)[C@@H](NC(C)=O)[C@H](OC[C@H]3O[C@H](O)[C@H](NC(C)=O)[C@@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3O)O[C@@H]2CO)[C@@H]1O is A branched amino pentasaccharide comprising a (1->3), (1->4), (1->6) sequence of N-acetyl-beta-D-glucosamine, beta-D-galactose, N-acetyl-beta-D-glucosamine and (at the reducing end) N-acetyl-alpha-D-galactosamine residues, with the N-acetyl-alpha-D-galactosamine residue also carrying a beta-D-galactose residue via a (1->3) linkage. It is also related to or classified as galactosamine oligosaccharide , glucosamine oligosaccharide , amino pentasaccharide .
The molecule CCCCCCCC/C=C\\CCCCCCCC(=O)OC(CCCCC)CCCCCCCCCCCC(=O)O is a fatty acid ester obtained by formal condensation of the carboxy group of oleic acid with the hydroxy group of 13-hydroxyoctadecanoic acid. It is a fatty acid ester and a monocarboxylic acid. It derives from an oleic acid and a 13-hydroxyoctadecanoic acid. It is a conjugate acid of a 13-[(9Z)-octadecenoyloxy]octadecanoate.
The molecule C=1C([C@@H](C/C=C\CC)[C@H](C1)CCCCCC(=O)O)=O C=1C([C@@H](C/C=C\CC)[C@H](C1)CCCCCC(=O)O)=O is A carbocyclic fatty acid that is cyclopent-2-en-1-one which has been substituted at positions 4 and 5 by 5-carboxypentyl and (2ZZ)-pent-2-en-1-yl groups, respectively (the S,S stereoisomer). It is an intermediate in the synthesis of jasmonic acid from hexadecatrienoic acid. It is a conjugate acid of 6-{(1S,5S)-4-oxo-5-[(2Z)-pent-2-en-1-yl]cyclopent-2-en-1-yl}hexanoate .   It is also related to or classified as enone  . It is also related to or classified as polyunsaturated fatty acid , carbocyclic fatty acid , oxo fatty acid .
The molecule N[C@H](C[SeH])C([O-])=O N[C@H](C[SeH])C([O-])=O is D-selenocysteinate(1-). It is a conjugate acid of D-selenocysteinate(2-) . It is also related to or classified as selenocysteinate(1-)  .
The molecule C([C@@H](C(=O)O)OP(=O)(O)O)S(=O)(=O)O is a carboxyalkyl phosphate and a carboxyalkanesulfonic acid. It derives from a rac-lactic acid. It is a conjugate acid of a (2R)-2-O-phosphonato-3-sulfonatolactate(4-).
The molecule OC(=O)CCC#CCC#CCC#CCC#CCC#CCC#CCC OC(=O)CCC#CCC#CCC#CCC#CCC#CCC#CCC is 4,7,10,13,16,19-Docosahexaynoic acid. It is also related to or classified as very long-chain fatty acid  .
The molecule C1=CC=C2C=C3C=C4C=C5C=C6C=C7C=CC=CC7=CC6=CC5=CC4=CC3=CC2=C1 is an acene that consists of seven ortho-fused benzene rings in a rectilinear arrangement. It is an acene and a member of heptacenes.
The molecule S(C(=O)CCCCC[C@@H]1[C@@H](C(C=C1)=O)C/C=C\CC)CCNC(CCNC(=O)[C@@H](C(COP(OP(OC[C@H]2O[C@@H](N3C4=C(C(=NC=N4)N)N=C3)[C@@H]([C@@H]2OP([O-])([O-])=O)O)(=O)[O-])(=O)[O-])(C)C)O)=O S(C(=O)CCCCC[C@@H]1[C@@H](C(C=C1)=O)C/C=C\CC)CCNC(CCNC(=O)[C@@H](C(COP(OP(OC[C@H]2O[C@@H](N3C4=C(C(=NC=N4)N)N=C3)[C@@H]([C@@H]2OP([O-])([O-])=O)O)(=O)[O-])(=O)[O-])(C)C)O)=O is A fatty acyl-CoA(4) arising from deprotonation of phosphate and diphosphate functions of (9S,13S)-1a,1b-dinor-12-oxo-10,15-phytodienoyl-CoA; major species at pH 7.3.  It is also related to or classified as fatty acyl-CoA(4-)  . It is also related to or classified as Jasmonate derivatives .
The molecule C1(=C(C=C(C=C1OC)CC[NH+](C)C)O)OC C1(=C(C=C(C=C1OC)CC[NH+](C)C)O)OC is major microspecies at pH 7.3. It is also related to or classified as ammonium ion derivative .
The molecule C1=CC2=C(C=CC=C2S(=O)(=O)O)C(=C1)NCCNC(=O)CI is an aminonaphthalenesulfonic acid fluorophore with a structure consisting of ethylenediamine substituted on the nitrogens with iodoacetyl and 5-sulfonyl-1-naphthyl groups. It has a role as a fluorescent probe.
The molecule O(C1C(O)C(O)C(OC1OC=2C=C3C(OC4OC(C(O)C(O)C4O)CO)=CC(O)=CC3=[O+]C2C5=CC(O)=C(O)C=C5)COC(=O)/C=C/C6=CC(O)=C(O)C=C6)C7OC(C(O)C(O)C7O)CO O(C1C(O)C(O)C(OC1OC=2C=C3C(OC4OC(C(O)C(O)C4O)CO)=CC(O)=CC3=[O+]C2C5=CC(O)=C(O)C=C5)COC(=O)/C=C/C6=CC(O)=C(O)C=C6)C7OC(C(O)C(O)C7O)CO is Cyanidin 3-caffeoyl sophoroside-5-glucoside. It is also related to or classified as glycoside  . It is also related to or classified as flavonoid  .
The molecule C[C@@]1([C@@H]2[C@@H]3C[C@@H]4C[C@@]2(C=CC1=O)[C@H]([C@@]4(O3)C)O)CCC(=O)NC5=C(C=CC(=C5O)C(=O)OC)O is a polycyclic cage that is the methyl ester derivative of platensimycin A1. It is isolated from Streptomyces platensis. It has a role as a bacterial metabolite. It is a cyclic ether, a cyclic ketone, a polycyclic cage, a secondary alcohol, a member of resorcinols, an aromatic amide, a methyl ester and a secondary carboxamide. It derives from a platensimycin A1.
The molecule C=1C([C@@H](C/C=C\CC)[C@H](C1)CCCCCC(=O)[O-])=O C=1C([C@@H](C/C=C\CC)[C@H](C1)CCCCCC(=O)[O-])=O is an oxo monocarboxylic acid anion resulting from the deprotonation of the carboxy group of 6-{(1S,5S)-4-oxo-5-[(2Z)-pent-2-en-1-yl]cyclopent-2-en-1-yl}hexanoic acid. The major species at pH 7.3. It is also related to or classified as Jasmonate derivatives , oxo monocarboxylic acid anion .
The molecule CC(C)C(C)C(O)=O CC(C)C(C)C(O)=O is A branched C4 short-chain fatty acid carrying two methyl substituents at positions 2 and 3. The methyl group at the 2-position confers chirality, hence the compound has two possible enantiomers. It is also related to or classified as dimethylbutyric acid .
The molecule C=1C(=CC=CC1)S C=1C(=CC=CC1)S is A thiol in which the sulfanyl group is attached to a phenyl group. It is also related to or classified as aryl thiol  .
The molecule CC(C)[C@H](C)C(O)=O CC(C)[C@H](C)C(O)=O is the (S)-enantiomer of 2,3-dimethylbutyric acid. It is also related to or classified as 2,3-dimethylbutyric acid  .
The molecule C([S+](CC[C@H](N)C(O)=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)N2C=NC3=C2N=CN=C3N)C(O)=O C([S+](CC[C@H](N)C(O)=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)N2C=NC3=C2N=CN=C3N)C(O)=O is A sulfonium compound that is S-adenosyl-L-methionine in which one of the methyl hydrogens has been replaced by a carboxy group. It has the role of Escherichia coli metabolite . Its functional parent is S-adenosyl-L-methionine . It is a conjugate acid of S-adenosyl-S-carboxymethyl-L-homocysteine dizwitterion . It is also related to or classified as organic cation , sulfonium compound .
The molecule OC[C@@H](O)[C@H](O)[C@H](O)C(=O)CO OC[C@@H](O)[C@H](O)[C@H](O)C(=O)CO is the straight-chain keto form of D-tagatose. It is also related to or classified as D-tagatose  .
The molecule [C@@]123[C@@](N(C4=C1C=CC(=C4)OC)C)([C@]([C@@H]([C@]5([C@@]2([NH+](CC=C5)CC3)[H])CC)O)(C(=O)OC)O)[H] [C@@]123[C@@](N(C4=C1C=CC(=C4)OC)C)([C@]([C@@H]([C@]5([C@@]2([NH+](CC=C5)CC3)[H])CC)O)(C(=O)OC)O)[H] is A vinca alkaloid cation that is the conjugate acid of 17-O-deacetylvindoline. It is a conjugate acid of 17-O-deacetylvindoline . It is also related to or classified as vinca alkaloid cation .
The molecule COP(=O)(OC)OC(=CCl)c1ccc(Cl)cc1Cl COP(=O)(OC)OC(=CCl)c1ccc(Cl)cc1Cl is dimethylvinphos. It has the role of agrochemical . It has the role of EC 3.1.1.7 (acetylcholinesterase) inhibitor .  It is also related to or classified as dichlorobenzene  . It is also related to or classified as dialkyl phosphate , organophosphate insecticide .
The molecule C1=CC(=CC(=C1O)O)C(C[NH3+])O C1=CC(=CC(=C1O)O)C(C[NH3+])O is noradrenaline(1+). It is a conjugate acid of noradrenaline . It is also related to or classified as organic cation , ammonium ion derivative .
The molecule C(N)(=O)C(O)C1=CC=CC=C1 C(N)(=O)C(O)C1=CC=CC=C1 is A monocarboxylic acid amide that is phenylacetamide in which one of the benzylic hydrogens has been replaced by a hydroxy group. Its functional parent is phenylacetic acid .  It is also related to or classified as monocarboxylic acid amide  . It is also related to or classified as secondary alcohol  . It is also related to or classified as benzyl alcohols .
The molecule [O-]C(=O)C([NH2+]C)(C)C [O-]C(=O)C([NH2+]C)(C)C is the conjugate base of N-methylaminoisobutyric acid obtained from the deprotonation of the carboxy group; major species at pH 7.3. It is also related to or classified as alpha-amino-acid zwitterion  .
The molecule [H][C@@]12C[C@H](O)C[C@@]1([H])[C@H](O)\C=C\C(=O)O[C@@H](C)CCC\C=C\2 [H][C@@]12C[C@H](O)C[C@@]1([H])[C@H](O)\C=C\C(=O)O[C@@H](C)CCC\C=C\2 is A metabolite from Penicillium brefeldianum that exhibits a wide range of antibiotic activity. It has the role of Penicillium metabolite . It is also related to or classified as macrolide antibiotic .
The molecule OP([O-])([O-])=O OP([O-])([O-])=O is A phosphate ion that is the conjugate base of dihydrogenphosphate. It has the role of cofactor . It has the role of Saccharomyces cerevisiae metabolite . It is a conjugate acid of phosphate(3-) . It is also related to or classified as phosphate ion , divalent inorganic anion .
The molecule CCC=S=O CCC=S=O is A thiocarbonyl compound that is propanethial in which the sulfur atom carries an oxo group. It is a lachrymatory factor found in onions. It has the role of plant metabolite . It is also related to or classified as sulfoxide  . It is also related to or classified as thiocarbonyl compound .
The molecule Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2ccccc2c1=O Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2ccccc2c1=O is A member of the class of quinazolines that is quinazoline-2,4(1H,3H)-dione which is substituted at position 3 by a 2-[4-(p-fluorobenzoyl)piperidin-1-yl]ethyl group. It has the role of cardiovascular drug . It has the role of antihypertensive agent . It has the role of alpha-adrenergic antagonist . It has the role of serotonergic antagonist . It has the role of EC 3.4.21.26 (prolyl oligopeptidase) inhibitor .  It is also related to or classified as organofluorine compound  . It is also related to or classified as piperidines , quinazolines , aromatic ketone .
The molecule CCC(C)(C)C(O)=O CCC(C)(C)C(O)=O is A branched-chain fatty acid and metabolite of the lactone prodrug simvastatin, whose sodium salt is potentially useful for the treatment of thalassaemias and haemoglobinopathies. It has the role of metabolite . It is also related to or classified as dimethylbutyric acid .
The molecule CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1 CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1 is lapatinib. It has the role of antineoplastic agent . It has the role of tyrosine kinase inhibitor . Its functional parent is monofluorobenzene .  It is also related to or classified as organochlorine compound  . It is also related to or classified as organofluorine compound  . It is also related to or classified as furans , quinazolines .
The molecule CC(C)[C@@H](C)C(O)=O CC(C)[C@@H](C)C(O)=O is the (R)-enantiomer of 2,3-butyric acid. It is also related to or classified as 2,3-dimethylbutyric acid  .
The molecule Nc1nc2NCC(=Nc2c(=O)[nH]1)[C@H](O)[C@H](O)COP([O-])(=O)OP([O-])(=O)OP([O-])([O-])=O Nc1nc2NCC(=Nc2c(=O)[nH]1)[C@H](O)[C@H](O)COP([O-])(=O)OP([O-])(=O)OP([O-])([O-])=O is tetraanion of 7,8-dihydroneopterin 3'-triphosphate. It has the role of Saccharomyces cerevisiae metabolite . It has the role of human metabolite . It is also related to or classified as organophosphate oxoanion .
The molecule CC1CCC(=O)O1 CC1CCC(=O)O1 is A butan-4-olide that is dihydrofuran-2(3H)-one substituted by a methyl group at position 5. It has been found in the urine samples of humans exposed to n-hexane. It has the role of flavouring agent . It has the role of human xenobiotic metabolite . It is also related to or classified as butan-4-olide .
The molecule CCCCCCCCCCCCC\C=C\[C@@H](O)[C@@H](N)COC1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O CCCCCCCCCCCCC\C=C\[C@@H](O)[C@@H](N)COC1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O is A D-glucoside that is derived by formal reaction of the primary hydroxy group of sphingosine at the anomeric position of  D-glucose. Its functional parent is sphingosine . It is also related to or classified as D-glucoside  .
The molecule Nc1cc(Cl)c(NC2=NCCN2)c(Cl)c1 Nc1cc(Cl)c(NC2=NCCN2)c(Cl)c1 is an imidazoline that is 2-amino 4,5-dihydro-1H-imidazoline in which one of the exocyclic amino hydrogens has been replaced by a 4-amino-2,6-dichlorophenyl group. It has the role of diagnostic agent . It has the role of beta-adrenergic agonist . It has the role of alpha-adrenergic agonist . It has the role of antiglaucoma drug . It has the role of ophthalmology drug . It is also related to or classified as dichlorobenzene  . It is also related to or classified as guanidines , imidazolines .
The molecule C1=CC(=CC=C1O)CCNC(CCCCC)=O C1=CC(=CC=C1O)CCNC(CCCCC)=O is N-hexanoyltyramine. Its functional parent is tyramine . It is also related to or classified as tyramines .
The molecule CCCCC\C=C/[C@H](OO)\C=C/CCCCCCCC([O-])=O CCCCC\C=C/[C@H](OO)\C=C/CCCCCCCC([O-])=O is conjugate base of (11S)-11-hydroperoxylinoleic acid arising from deprotonation of the carboxylic acid function. It is also related to or classified as HPODE(1-) .
The molecule COC1=C[C@]23CC[NH+](C)[C@H](Cc4ccc(OC)c(O)c24)C3=C[C@@H]1O COC1=C[C@]23CC[NH+](C)[C@H](Cc4ccc(OC)c(O)c24)C3=C[C@@H]1O is conjugate acid of (7S)-salutaridinol. It is a conjugate acid of (7S)-salutaridinol . It is also related to or classified as ammonium ion derivative .
The molecule [C@@H]1([C@H](O[C@@H](OC[C@@H]([C@@H](/C=C/CCCCCCCCCCCCC)O)NC(CCCCCCCCCCCCC/C=C\CCCCCCCC)=O)[C@@H]([C@H]1O)O)CO)O [C@@H]1([C@H](O[C@@H](OC[C@@H]([C@@H](/C=C/CCCCCCCCCCCCC)O)NC(CCCCCCCCCCCCC/C=C\CCCCCCCC)=O)[C@@H]([C@H]1O)O)CO)O is A N-acyl-beta-D-galactosylsphingosine in which the acyl group is (15Z)-tetracosenoyl. It has the role of mouse metabolite . Its functional parent is (15Z)-tetracosenoic acid . It is also related to or classified as N-acyl-beta-D-galactosylsphingosine  .
The molecule COP(=S)(OC)Oc1ccc(cc1)C#N COP(=S)(OC)Oc1ccc(cc1)C#N is cyanophos. It has the role of agrochemical . It has the role of EC 3.1.1.7 (acetylcholinesterase) inhibitor . Its functional parent is 4-cyanophenol . It is also related to or classified as organothiophosphate insecticide , organic thiophosphate .
The molecule Cc1cc(C)c(c(C)c1)C1=C(OC(=O)CC(C)(C)C)C2(CCCC2)OC1=O Cc1cc(C)c(c(C)c1)C1=C(OC(=O)CC(C)(C)C)C2(CCCC2)OC1=O is A butenolide that is but-2-en-4-olide bearing a 2,4,6-trimethylphenyl group at position 3, a 3,3-dimethylbutyryloxy group at position 4 and a spiro-fused cyclopentyl ring at position 5. It has the role of insecticide . Its functional parent is 1,3,5-trimethylbenzene . Its functional parent is 3,3-dimethylbutyric acid . It is also related to or classified as butenolide  .
The molecule [C@@]1(C)(CO)CC[C@@H](C(=C1\C=C\C(=C\C=C\C(=C\C(=O)O)\C)\C)C)O [C@@]1(C)(CO)CC[C@@H](C(=C1\C=C\C(=C\C=C\C(=C\C(=O)O)\C)\C)C)O is A retinoid that is all-trans-retinoic acid which has been hydroxylated at the 4-pro-S position and at the 16 position. Its functional parent is all-trans-4-hydroxyretinoic acid . It is a conjugate acid of (4S)-4,16-dihydroxyretinoate . It is also related to or classified as secondary allylic alcohol  . It is also related to or classified as primary alcohol  .  It is also related to or classified as retinoid  . It is also related to or classified as monocarboxylic acid .
The molecule CCC(C)(C)C(=O)OC1=C(C(=O)OC11CCCCC1)c1ccc(Cl)cc1Cl CCC(C)(C)C(=O)OC1=C(C(=O)OC11CCCCC1)c1ccc(Cl)cc1Cl is spirodiclofen. Its functional parent is 1,3-dichlorobenzene . It is also related to or classified as dichlorobenzene  . It is also related to or classified as gamma-lactone  . It is also related to or classified as oxaspiro compound , organochlorine acaricide .
The molecule OC(CC(=O)C(O)=O)C(O)=O OC(CC(=O)C(O)=O)C(O)=O is an oxo dicarboxylic acid comprising glutaric acid having oxo- and hydroxy substituents at the 2- and 4-positions respectively. Its functional parent is glutaric acid . It is a conjugate acid of 4-hydroxy-2-oxoglutarate(1-) . It is also related to or classified as oxo dicarboxylic acid .
The molecule COc1ccc2C[C@@H]3N(C)CCc4cc5OCOc5c(c34)-c2c1O COc1ccc2C[C@@H]3N(C)CCc4cc5OCOc5c(c34)-c2c1O is an aporphine alkaloid that has been isolated from Corydalis and exhibits inhibitory activity against enzymes such as tyrosine 3-monooxygenase and diamine oxidase. It has the role of EC 1.4.3.22 (diamine oxidase) inhibitor . It has the role of EC 1.14.16.2 (tyrosine 3-monooxygenase) inhibitor . It has the role of plant metabolite . Its functional parent is aporphine .  It is also related to or classified as phenols  . It is also related to or classified as aporphine alkaloid , aromatic ether , oxacycle .
The molecule CC(C)c1nc(=O)cc(C)[nH]1 CC(C)c1nc(=O)cc(C)[nH]1 is A  pyrimidone that is pyrimidin-4(1H)-one substituted by a methyl group at position 6 and an isopropyl group at position 2. It is a metabolite of diazinon. It has the role of marine xenobiotic metabolite . It is also related to or classified as pyrimidone .
The molecule C12=C3[C@](CC4=C1C=C(OC)C(=C4)OC)(N(CCC3=CC(=C2OC)OC)C)[H] C12=C3[C@](CC4=C1C=C(OC)C(=C4)OC)(N(CCC3=CC(=C2OC)OC)C)[H] is an  aporphine alkaloid that is (S)-1,2,9,10-tetrahydroxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline in which the four phenolic hydrogens have been replaced by methyl groups. It has the role of antibacterial agent . It has the role of antineoplastic agent . It has the role of platelet aggregation inhibitor . It has the role of antitussive . It has the role of muscle relaxant . It has the role of NF-kappaB inhibitor . It has the role of plant metabolite . It has the role of rat metabolite .   It is also related to or classified as polyether  . It is also related to or classified as aporphine alkaloid , organic heterotetracyclic compound , tertiary amino compound .
The molecule C1[C@@]2([C@]3(CC[C@]4(C)[C@@H](C(C)=O)CC[C@]4([C@@]3([C@@H](C=C2C[C@H](C1)O)O)[H])[H])[H])C C1[C@@]2([C@]3(CC[C@]4(C)[C@@H](C(C)=O)CC[C@]4([C@@]3([C@@H](C=C2C[C@H](C1)O)O)[H])[H])[H])C is A 20-oxo steroid that is pregnenolone carrying an additional hydroxy substituent at the 7alpha-position. It has the role of dopaminergic agent . It has the role of nootropic agent . It has the role of marine metabolite . It has the role of rat metabolite . Its functional parent is pregnenolone . It is also related to or classified as 3beta-hydroxy-Delta(5)-steroid  . It is also related to or classified as 7alpha-hydroxy steroid  .  It is also related to or classified as C21-steroid  . It is also related to or classified as 20-oxo steroid .
The molecule O(C1(OC=2C(C(O[H])(C1(O[H])[H])[H])=C(O[H])C(=C(O[H])C2[H])[H])C3=C(C(O[H])=C(O[H])C(=C3[H])[H])[H])C4(C(OC=5C(C4([H])[H])=C(O[H])C(=C(O[H])C5[H])[H])(C6=C(C(O[H])=C(O[H])C(=C6[H])[H])[H])[H])[H] O(C1(OC=2C(C(O[H])(C1(O[H])[H])[H])=C(O[H])C(=C(O[H])C2[H])[H])C3=C(C(O[H])=C(O[H])C(=C3[H])[H])[H])C4(C(OC=5C(C4([H])[H])=C(O[H])C(=C(O[H])C5[H])[H])(C6=C(C(O[H])=C(O[H])C(=C6[H])[H])[H])[H])[H] is oligomeric compounds, formed from catechin and epicatechin molecules. They yield cyanidin when depolymerized under oxidative conditions. It is also related to or classified as proanthocyanidin .
The molecule N1[C@@H](C2=C(CC1)C=C(C(=C2)OC)OC)CC3=CC=C(C(=C3)OC)OC N1[C@@H](C2=C(CC1)C=C(C(=C2)OC)OC)CC3=CC=C(C(=C3)OC)OC is the R-enantiomer of tetrahydropapaverine. Its functional parent is (R)-norlaudanosoline . It is also related to or classified as 1-(3,4-dimethoxybenzyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline  .