anonymous041/ChEBI-Augmented huggingface dataset:
The molecule CC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O CC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O is A member of the class of  pyrazoles that is antipyrine substituted by an acetylamino group at position 4. It is a drug metabolite of metamizole. It has the role of drug metabolite . It has the role of marine xenobiotic metabolite . Its functional parent is antipyrine . It is also related to or classified as acetamides , pyrazoles .
The molecule COc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(F)(F)F)nc(n1)C(F)(F)F COc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(F)(F)F)nc(n1)C(F)(F)F is A sulfonamide  that is benzenesulfonamide substituted by a trifluoromethyl group at position 2 and a [4-methoxy-6-(trifluoromethyl)-1,3,5-triazin-2-yl]carbamoyl group at the nitrogen atom. It has the role of herbicide . It has the role of xenobiotic . It has the role of environmental contaminant .  It is also related to or classified as N-sulfonylurea  . It is also related to or classified as methoxy-1,3,5-triazine , (trifluoromethyl)benzenes .
The molecule COc1cc(O)c2C(=O)c3cc4[C@H](O)[C@@H](O[C@@H]5O[C@H](C)[C@H](N)[C@H](O[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O)[C@H]5O)c5cc(C)c(C(=O)N[C@H](C)C(O)=O)c(O)c5-c4c(O)c3C(=O)c2c1 COc1cc(O)c2C(=O)c3cc4[C@H](O)[C@@H](O[C@@H]5O[C@H](C)[C@H](N)[C@H](O[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O)[C@H]5O)c5cc(C)c(C(=O)N[C@H](C)C(O)=O)c(O)c5-c4c(O)c3C(=O)c2c1 is A member of the class of pradimicins that is isolated from the cultured broth of Actinomadura hibisca No. P157-2 (ATCC 53557). Its functional parent is D-alanine . It is also related to or classified as polyketide  .   It is also related to or classified as secondary alcohol  . It is also related to or classified as polyphenol , aromatic ether , disaccharide derivative , pradimicin , L-alanine derivative .
The molecule CN[C@H]1[C@@H](C)O[C@@H](O[C@@H]2[C@@H](O)c3cc4C(=O)c5c(O)cc(OC)cc5C(=O)c4c(O)c3-c3c(O)c(C(=O)N[C@H](C)C(O)=O)c(C)cc23)[C@H](O)[C@H]1O CN[C@H]1[C@@H](C)O[C@@H](O[C@@H]2[C@@H](O)c3cc4C(=O)c5c(O)cc(OC)cc5C(=O)c4c(O)c3-c3c(O)c(C(=O)N[C@H](C)C(O)=O)c(C)cc23)[C@H](O)[C@H]1O is A member of the class of prodimicins that is isolated from the cultured broth of Actinomadura hibisca No. P157-2 (ATCC 53557). Its functional parent is D-alanine . It is also related to or classified as polyketide  .   It is also related to or classified as secondary alcohol  . It is also related to or classified as polyphenol , aromatic ether , monosaccharide derivative , pradimicin , L-alanine derivative .
The molecule COC(=O)c1ccccc1S(N)(=O)=O COC(=O)c1ccccc1S(N)(=O)=O is A benzoate ester that is methyl benzoate substituted by a sulfamoyl group at position 2. It is a metabolite of the herbicide metsulfuron-methyl. It has the role of marine xenobiotic metabolite . It is also related to or classified as methyl ester  . It is also related to or classified as sulfonamide  . It is also related to or classified as benzoate ester .
The molecule COc1nc(C)nc(N)n1 COc1nc(C)nc(N)n1 is A monoamino-1,3,5-triazine that is 1,3,5-triazin-2-amine substituted by a methoxy group at position 4 and a methyl group at position 6. It is a metabolite of the herbicide thifensulfuron-methyl. It has the role of marine xenobiotic metabolite . It is also related to or classified as aromatic ether , monoamino-1,3,5-triazine .
The molecule OC(=O)CNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F OC(=O)CNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F is A monocarboxylic acid that is (sulfoamino)acetic acid substituted by a heptadecafluorooctyl group at the sulfur atom. It has the role of xenobiotic . It has the role of environmental contaminant . Its functional parent is perfluorooctanesulfonamide . Its functional parent is perfluorooctane-1-sulfonic acid .  It is also related to or classified as sulfonamide  . It is also related to or classified as organofluorine compound  . It is also related to or classified as monocarboxylic acid .
The molecule CC(C)c1ccc(NC(N)=O)cc1 CC(C)c1ccc(NC(N)=O)cc1 is A member of the class of phenylureas that is urea substituted by a p-cumenyl group at position 1. It is a metabolite of the herbicide isoproturon. It has the role of marine xenobiotic metabolite . It is also related to or classified as phenylureas .
The molecule CCOCCN(C(=O)CCl)C(=C(C)C)c1ccccc1 CCOCCN(C(=O)CCl)C(=C(C)C)c1ccccc1 is A monocarboxylic acid amide that is acetamide substituted by a chloro group at position 2 and a  2-ethoxyethyl and a 2-methyl-1-phenylprop-1-en-1-yl at the nitrogen atom. It is an agrochemical used as a herbicide. It has the role of herbicide . It has the role of agrochemical . It has the role of xenobiotic . It has the role of environmental contaminant . It is also related to or classified as ether  . It is also related to or classified as monocarboxylic acid amide  . It is also related to or classified as organochlorine compound  . It is also related to or classified as olefinic compound .
The molecule CC(C)(C)Nc1nc(N)nc(Cl)n1 CC(C)(C)Nc1nc(N)nc(Cl)n1 is A diamino-1,3,5-triazine that is 1,3,5-triazine-2,4-diamine substituted by a tert-butyl group at the amino nitrogen and a chloro group at position 6. It is metabolite of the herbicide terbutylazine. It has the role of marine xenobiotic metabolite . It is also related to or classified as chloro-1,3,5-triazine , diamino-1,3,5-triazine .
The molecule CC(=O)Nc1c(I)c(C(O)=O)c(I)c(C(=O)NCCO)c1I CC(=O)Nc1c(I)c(C(O)=O)c(I)c(C(=O)NCCO)c1I is an  organoiodine compound that is 2,4,6-triiodobenzoic acid substituted by an acetylamino group at position 3 and a (2-hydroxyethyl)carbamoyl group at position 5. It is used as a contrast medium. It has the role of xenobiotic . It has the role of radioopaque medium . It has the role of environmental contaminant .    It is also related to or classified as organoiodine compound  . It is also related to or classified as acetamides , benzoic acids , dicarboxylic acid monoamide .
The molecule CC1=CC(=O)NS(=O)(=O)O1 CC1=CC(=O)NS(=O)(=O)O1 is A sulfamate ester that is 1,2,3-oxathiazin-4(3H)-one 2,2-dioxide substituted by a methyl group at position 6. It has the role of xenobiotic . It has the role of sweetening agent . It has the role of environmental contaminant . It is also related to or classified as organic heteromonocyclic compound , organonitrogen heterocyclic compound , oxacycle , sulfamate ester .
The molecule CN(C)CC(c1ccc(O)cc1)C1(O)CCCCC1 CN(C)CC(c1ccc(O)cc1)C1(O)CCCCC1 is A tertiary amino compound that is N,N-dimethylethanamine substituted at position 1 by a 1-hydroxycyclohexyl and 4-hydroxyphenyl group. It is a metabolite of the drug venlafaxine. It has the role of antidepressant . It has the role of drug metabolite . It has the role of marine xenobiotic metabolite .  It is also related to or classified as phenols  . It is also related to or classified as cyclohexanols , tertiary amino compound .
The molecule CNCC(c1ccc(OC)cc1)C1(O)CCCCC1 CNCC(c1ccc(OC)cc1)C1(O)CCCCC1 is A monomethoxybenzene that is the N-desmethyl derivative of venlafaxine. It has the role of drug metabolite . It has the role of marine xenobiotic metabolite . It is also related to or classified as cyclohexanols , monomethoxybenzene , secondary amino compound .
The molecule CC1C(C)(C)c2cc3C(C)COC(=O)c3cc2C1(C)C CC1C(C)(C)c2cc3C(C)COC(=O)c3cc2C1(C)C is an  organic heterotricyclic compound that is 4,6,7,8-tetrahydrocyclopenta[g]isochromen-1(3H)-one substituted by methyl groups at positions 4, 6, 6, 7, 8 and 8 respectively. It is a metabolite of the synthetic musk galaxolide. It has the role of marine xenobiotic metabolite . It is also related to or classified as delta-lactone  . It is also related to or classified as organic heterotricyclic compound , isochromenes .
The molecule Cc1c(NC=O)c(=O)n(-c2ccccc2)n1C Cc1c(NC=O)c(=O)n(-c2ccccc2)n1C is A  pyrazolone that is 1,2-dihydro-3H-pyrazol-3-one substituted by a formaylamino group at position 4, methyl groups at positions 1 and 5 and a phenyl group at position 2. It is a metabolite of aminophenazone. It has the role of drug metabolite . It has the role of marine xenobiotic metabolite . It is also related to or classified as formamides , pyrazolone .
The molecule CNCCCC(C#N)(C(C)C)c1ccc(OC)c(OC)c1 CNCCCC(C#N)(C(C)C)c1ccc(OC)c(OC)c1 is A nitrile that is pentanenitrile substituted by a 3,4-dimethoxyphenyl group at position 2, a methylamino group at position 4 and an isopropyl group at position 2. It is a metabolite of the drug verapamil. It has the role of drug metabolite . It has the role of marine xenobiotic metabolite . It is also related to or classified as nitrile  . It is also related to or classified as secondary amino compound , dimethoxybenzene .
The molecule CNCC(c1ccc(O)cc1)C1(O)CCCCC1 CNCC(c1ccc(O)cc1)C1(O)CCCCC1 is A secondary amino compound that is N-methylethanamine substituted by a 1-hydroxycyclohexyl and a 4-hydroxyphenyl group at position 1. It is a metabolite of the drug venlafaxine. It has the role of drug metabolite . It has the role of marine xenobiotic metabolite .  It is also related to or classified as phenols  . It is also related to or classified as cyclohexanols , secondary amino compound .
The molecule CCCCCCCCn1sc(Cl)c(Cl)c1=O CCCCCCCCn1sc(Cl)c(Cl)c1=O is A 1,2-thiazole that is 1,2-thiazol-3(2H)-one substituted by chloro groups at positions 4 and 5 and an octyl group at position 2. It is used as a fungicide. It has the role of fungicide . It has the role of xenobiotic . It has the role of environmental contaminant . It is also related to or classified as organochlorine compound  . It is also related to or classified as 1,2-thiazoles .
The molecule CCc1cc(C)cc(CC)c1-c1c(OC(=O)C(C)(C)C)n2CCOCCn2c1=O CCc1cc(C)cc(CC)c1-c1c(OC(=O)C(C)(C)C)n2CCOCCn2c1=O is A pyrazolooxadiazepine that is 7-oxo-1,2,4,5-tetrahydro-7H-pyrazolo[1,2-d][1,4,5]oxadiazepin which is substituted at positions 8 and 9 by 2,6-diethyl-4-methylphenyl and pivaloyloxy groups, respectively. A pro-herbicide (by hydrolysis of the pivalate ester to give the corresponding enol), it is used for control of grass weeds in cereal crops. It has the role of proherbicide . It has the role of agrochemical . It has the role of xenobiotic . It has the role of EC 6.4.1.2 (acetyl-CoA carboxylase) inhibitor . It has the role of environmental contaminant . Its functional parent is pinoxaden acid .  It is also related to or classified as pivalate ester  . It is also related to or classified as pyrazolooxadiazepine .
The molecule CN=CNc1ccc(C)cc1C CN=CNc1ccc(C)cc1C is A member of the class of  formamidines that is N-methylimidoformamide in which the hydrogen attached to the nitrogen atom has been replaced by a  2,4-dimethylphenyl group. It is a metabolite of the insecticide amitraz. It has the role of marine xenobiotic metabolite .  It is also related to or classified as formamidines  . It is also related to or classified as benzenes .
The molecule NCC(O)COc1ccc(CC(N)=O)cc1 NCC(O)COc1ccc(CC(N)=O)cc1 is A member of the class of ethanolamines that is 2-aminoethanol substituted by a [4-(2-amino-2-oxoethyl)phenoxy]methyl group at position 1. It is a metabolite of the drug atenolol. It has the role of drug metabolite . It has the role of marine xenobiotic metabolite .  It is also related to or classified as monocarboxylic acid amide  . It is also related to or classified as propanolamine  . It is also related to or classified as ethanolamines , aromatic ether , primary amino compound .
The molecule Clc1ccc(cc1)C(=O)NCCN1CCOCC1 Clc1ccc(cc1)C(=O)NCCN1CCOCC1 is A member of the class of  benzamides that is benzamide substituted by a chloro group at position 4 and a 2-(morpholin-4-yl)ethyl group at the nitrogen atom. It acts as a reversible monoamine oxidase inhibitor and is used in the treatment of depression. It has the role of antidepressant . It has the role of xenobiotic . It has the role of environmental contaminant . It is also related to or classified as benzamides , morpholines , monochlorobenzenes .
The molecule NC(=O)N1c2ccccc2[C@@H](O)[C@H](O)c2ccccc12 NC(=O)N1c2ccccc2[C@@H](O)[C@H](O)c2ccccc12 is A  dibenzoazepine that is 10,11-dihydro-5H-dibenzo[b,f]azepine-5-carboxamide substituted by hydroxy groups at positions 10 and 11. It is a metabolite of the drug carbamazepine. It has the role of drug metabolite . It has the role of marine xenobiotic metabolite . It is also related to or classified as diol  . It is also related to or classified as dibenzoazepine  . It is also related to or classified as ureas .
The molecule C[C@H]1OC([C@H](OC(C)=O)[C@@H]1OC(C)=O)n1cc(F)c(N)nc1=O C[C@H]1OC([C@H](OC(C)=O)[C@@H]1OC(C)=O)n1cc(F)c(N)nc1=O is A member of the class of cytidines that is a metabolite of the drug capecitabine. It has the role of marine xenobiotic metabolite .  It is also related to or classified as organofluorine compound  . It is also related to or classified as acetate ester  . It is also related to or classified as cytidines .
The molecule CC(C)N(C(=O)C(O)=O)c1ccccc1 CC(C)N(C(=O)C(O)=O)c1ccccc1 is A monocarboxylic acid that is oxoacetic acid substituted by a phenyl(propan-2-yl)amino group at position 2. It is a metabolite of the herbicide propachlor. It has the role of marine xenobiotic metabolite . It is also related to or classified as anilide  . It is also related to or classified as monocarboxylic acid .
The molecule CCOP(=O)(OCC)Oc1cc(C)nc(n1)C(C)C CCOP(=O)(OCC)Oc1cc(C)nc(n1)C(C)C is an  organic phosphate that is diethyl hydrogen phosphate in which the hydrogen of the hydroxy group has been replaced by a 6-methyl-2-(propan-2-yl)pyrimidin-4-yl group. It is a metabolite of the pesticide diazinon. It has the role of marine xenobiotic metabolite . It is also related to or classified as organic phosphate , pyrimidines .
The molecule CN(C)C(=O)C(=O)N(N(C)C(C)=O)c1ccccc1 CN(C)C(=O)C(=O)N(N(C)C(C)=O)c1ccccc1 is A monocarboxylic acid amide that is N,N-dimethyl-2-oxoacetamide substituted by a 2-acetyl-2-methyl-1-phenylhydrazinyl group at position 2. It is a metabolite of the drug aminopyrine. It has the role of drug metabolite . It has the role of marine xenobiotic metabolite . It is also related to or classified as monocarboxylic acid amide  . It is also related to or classified as carbohydrazide  .
The molecule COc1cc(O)c2C(=O)c3c(O)c4[C@H](O)[C@@H](O)c5cc(C)c(C(=O)NC(C)C(O)=O)c(O)c5-c4c(O)c3C(=O)c2c1 COc1cc(O)c2C(=O)c3c(O)c4[C@H](O)[C@@H](O)c5cc(C)c(C(=O)NC(C)C(O)=O)c(O)c5-c4c(O)c3C(=O)c2c1 is Pradimicinone II.  It is also related to or classified as carboxylic acid  . It is also related to or classified as p-quinones , tetracenes .
The molecule OP(O)(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F OP(O)(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F is A monoalkyl phosphate in which the alkyl group specified is perfluorodecyl. It has the role of xenobiotic . It has the role of environmental contaminant . It is also related to or classified as monoalkyl phosphate .
The molecule NC(=O)N=C1SCCN1Cc1ccc(Cl)nc1 NC(=O)N=C1SCCN1Cc1ccc(Cl)nc1 is A monochloropyridine that is 2-chloropyridine substituted by a [2-(carbamoylimino)-1,3-thiazolidin-3-yl]methyl group at position 5. It is a metabolite of the insecticide thiacloprid. It has the role of marine xenobiotic metabolite .  It is also related to or classified as monochloropyridine  . It is also related to or classified as thiazolidines , ureas .
The molecule OP(=O)(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F OP(=O)(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F is A dialkyl phosphate in which the alkyl group specified is perfluorodecyl. It has the role of xenobiotic . It has the role of environmental contaminant .  It is also related to or classified as organofluorine compound  . It is also related to or classified as dialkyl phosphate .
The molecule C1=C(C(F)(F)F)C=CC=C1N2CCNCC2 C1=C(C(F)(F)F)C=CC=C1N2CCNCC2 is A N-arylpiperazine that is piperazine substituted by a 3-(trifluoromethyl)phenyl group at position 1. A serotonergic agonist used as a recreational drug. It has the role of psychotropic drug . It has the role of xenobiotic . It has the role of serotonergic agonist . It has the role of environmental contaminant . It is also related to or classified as N-arylpiperazine , (trifluoromethyl)benzenes .
The molecule CNC(=O)Oc1cc(C)c(c(C)c1)S(C)=O CNC(=O)Oc1cc(C)c(c(C)c1)S(C)=O is A carbamate ester obtained by the formal condensation of the phenolic group of 3,5-dimethyl-4-(methylsulfinyl)phenol with the carboxy group of methylcarbamic acid. It is a metabolite of the pesticide methiocarb. It has the role of marine xenobiotic metabolite . It is also related to or classified as sulfoxide  . It is also related to or classified as carbamate ester .
The molecule Clc1ccc(CN2CCNC2=O)cn1 Clc1ccc(CN2CCNC2=O)cn1 is A imidazolidinone that is imidazolidin-2-one substituted by a (6-chloropyridin-3-yl)methyl group at position 1. It is a metabolite of the insecticide imidacloprid. It has the role of marine xenobiotic metabolite . It is also related to or classified as monochloropyridine  . It is also related to or classified as ureas , imidazolidinone .
The molecule C(N1CCNCC1)c1ccccc1 C(N1CCNCC1)c1ccccc1 is A tertiary amino compound that is piperazine substituted by a benzyl group at position 1. It is a  serotonergic agonist used as a recreational drug. It has the role of psychotropic drug . It has the role of xenobiotic . It has the role of serotonergic agonist . It has the role of environmental contaminant . It is also related to or classified as N-alkylpiperazine .
The molecule CCCCCCCCCCCCCC(=O)OC[C@H]1O[C@H](OC2CC[C@]3(C)[C@H]4CC[C@]5(C)[C@H](CC[C@H]5[C@@H]4CC=C3C2)[C@H](C)CCCC(C)C)[C@H](O)[C@@H](O)[C@@H]1O CCCCCCCCCCCCCC(=O)OC[C@H]1O[C@H](OC2CC[C@]3(C)[C@H]4CC[C@]5(C)[C@H](CC[C@H]5[C@@H]4CC=C3C2)[C@H](C)CCCC(C)C)[C@H](O)[C@@H](O)[C@@H]1O is A cholesteryl glycoside in which cholesterol is linked glycosidically via its 3-hydroxy group to  6-O-myristoyl-alpha-D-glucose. Produced naturally by Helicobacter pylori, a bacteria that colonizes the stomach and which is associated with protection against asthma, it is also chemically synthesized as PI57. It is also related to or classified as cholesteryl glycoside .
The molecule CCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])([O-])=O)OC(=O)CCCCCCCCCCCCC CCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])([O-])=O)OC(=O)CCCCCCCCCCCCC is A 1-acyl-2-tetradecanoyl-sn-glycerol 3-phosphate(2-) obtained by deprotonation of both phosphate OH groups of 1,2-ditetradecanoyl-sn-glycerol-3-phosphate(; major species at pH 7.3. It is also related to or classified as 1-acyl-2-tetradecanoyl-sn-glycero-3-phosphate(2-)  .
The molecule CCOC(=O)C1(C)OC(=O)N(C1=O)c1cc(Cl)cc(Cl)c1 CCOC(=O)C1(C)OC(=O)N(C1=O)c1cc(Cl)cc(Cl)c1 is the ethyl ester of 3-(3,5-dichlorophenyl)-5-methyl-2,4-dioxo-1,3-oxazolidine-5-carboxylic acid. It is also related to or classified as dichlorobenzene  . It is also related to or classified as ethyl ester  . It is also related to or classified as dicarboximide  . It is also related to or classified as oxazolidinone .
The molecule C[C@@H]1O[C@@H](O[C@@H]2[C@@H](NC(C)=O)C(O)O[C@H](CO)[C@H]2O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4NC(C)=O)[C@@H](O)[C@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)[C@@H]3O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2NC(C)=O)[C@@H](O)[C@H](O)[C@@H]1O C[C@@H]1O[C@@H](O[C@@H]2[C@@H](NC(C)=O)C(O)O[C@H](CO)[C@H]2O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4NC(C)=O)[C@@H](O)[C@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)[C@@H]3O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2NC(C)=O)[C@@H](O)[C@H](O)[C@@H]1O is A branched amino octasaccharide consisting of a D-GlcNAc residue at the reducing end with a beta-D-GlcNAc-(1->2)-alpha-D-Man-(1->6)-[alpha-D-Man-(1->3)]-[beta-D-Xyl-(1->2)]-beta-D-Man-(1->4)-beta-D-GlcNAc moiety attached via a beta-(1->4)-linkage and an L-Fuc residue attached via an alpha-(1->3)-linkage. It is also related to or classified as glucosamine oligosaccharide , amino octasaccharide .
The molecule COc1ccc(CCC(=O)c2c(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)cc2O)cc1O COc1ccc(CCC(=O)c2c(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)cc2O)cc1O is A member of the  dihydrochalcones that is 3,2',4',6'-tetrahydroxy-4-methoxydihydrochalcone attached to a neohesperidosyl residue at position 4' via glycosidic linkage. It is found in sweet orange. It has the role of xenobiotic . It has the role of sweetening agent . It has the role of plant metabolite . It has the role of environmental contaminant . It is also related to or classified as neohesperidoside  . It is also related to or classified as dihydrochalcones , disaccharide derivative .
The molecule CC(=O)N[C@H]1C(O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4NC(C)=O)[C@@H](O)[C@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)[C@@H]3O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2NC(C)=O)[C@@H]1O CC(=O)N[C@H]1C(O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4NC(C)=O)[C@@H](O)[C@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)[C@@H]3O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2NC(C)=O)[C@@H]1O is A branched amino heptasaccharide consisting of a beta-D-GlcNAc residue at the reducing end with a beta-D-GlcNAc-(1->2)-alpha-D-Man-(1->6)-[alpha-D-Man-(1->3)]-[beta-D-Xyl-(1->2)]-beta-D-Man-(1->4)-beta-D-GlcNAc moiety attached via a beta-(1->4)-linkage. It is also related to or classified as glucosamine oligosaccharide , amino heptasaccharide .
The molecule CCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(O)=O)OC(=O)CCCCCCCCCCCCC CCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(O)=O)OC(=O)CCCCCCCCCCCCC is A 1-acyl-2-tetradecanoyl-sn-glycero-3-phosphate in which the 1-acyl group is specified as tetradecanoyl (myristoyl). It is a conjugate acid of 1,2-ditetradecanoyl-sn-glycerol-3-phosphate(2-) . It is also related to or classified as 1-acyl-2-tetradecanoyl-sn-glycero-3-phosphate  . It is also related to or classified as tetradecanoate ester  .
The molecule CCCCCCCCCCCCCCCCCCCCCCC(C([O-])=O)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 CCCCCCCCCCCCCCCCCCCCCCC(C([O-])=O)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 the pentaanion of 2-carboxytetracosanoyl-CoA arising from deprotonation of phosphate, diphosphate and carboxylic acid functions; major species at pH 7.3. It is also related to or classified as 2-carboxyacyl CoA(5-)  .
The molecule CCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@@H](O)COP([O-])(=O)OCC(O)COP([O-])(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC CCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@@H](O)COP([O-])(=O)OCC(O)COP([O-])(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC is A 2-monolysocardiolipin(2-) obtained by deprotonation of the phosphate OH groups of trilinoleoyl 2-monolysocardiolipin; major species at pH 7.3. It is also related to or classified as trininoleoyl-monolysocardiolipin(2-)  . It is also related to or classified as 2-monolysocardiolipin(2-)  .
The molecule [Cl-].C[n+]1ccccc1\C=N\O [Cl-].C[n+]1ccccc1\C=N\O is pralidoxime chloride. It has the role of cholinergic drug . It has the role of cholinesterase reactivator . It is also related to or classified as organic chloride salt , pyridinium salt .
The molecule CCCCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)NC(=O)[C@H](O)CCCCCCCCCCCCCCCCC CCCCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)NC(=O)[C@H](O)CCCCCCCCCCCCCCCCC is A glycosylceramide in which alpha-D-glucuronic acid is linked glycosidically to a 3-hydroxy-2-{[(2R)-2-hydroxynonadecanoyl]amino}icosyl moiety. Present in the cell walls of Sphingomonas bacteria. It is also related to or classified as glycosylceramide .