mingxuzhang/ChEBI-Augmented huggingface dataset:
The molecule <smiles>Nc1c(c(nn1-c1c(Cl)cc(cc1Cl)C(F)(F)F)C#N)S(=O)C(F)(F)F</smiles> is A member of the class of pyrazoles that is 1H-pyrazole that is substituted at positions 1, 3, 4, and 5 by 2,6-dichloro-4-(trifluoromethyl)phenyl, cyano, (trifluoromethyl)sulfinyl, and amino groups, respectively. It is also related to or classified as nitrile . It is also related to or classified as sulfoxide . It is also related to or classified as dichlorobenzene . It is also related to or classified as pyrazoles, primary amino compound, (trifluoromethyl)benzenes.
The molecule <smiles>[O-]C(=O)c1ccc(C=O)o1</smiles> is A furancarboxylate that is the conjugate base of 5-formyl-2-furoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is also related to or classified as furancarboxylate, aldehydic acid anion.
The molecule <smiles>OC(O)c1ccc(o1)C([O-])=O</smiles> is A furancarboxylate that is the conjugate base of 5-(dihydroxymethyl)-2-furoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is also related to or classified as furancarboxylate.
The molecule <smiles>O[C@H]1[C@H](O)[C@H](OC(=O)[C@@H]1O)C([O-])=O</smiles> is A carbohydrate acid anion that is the conjugate base of D-glucaro-1,5-lactone, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is also related to or classified as carbohydrate acid anion.
The molecule <smiles>CCCCCCCCc1c(CC)nc2ncnn2c1N</smiles> is A member of the class of triazolopyrimidines that is [1,2,4]triazolo[1,5-a]pyrimidin-7-amine carrying additional ethyl and octyl substituents at positions 5 and 6 respectively. A fungicide for the control of late blight and downey mildew on potatoes and other crops including vines. It has the role of mitochondrial cytochrome-bc1 complex inhibitor. It has the role of antifungal agrochemical. It is also related to or classified as aromatic amine, triazolopyrimidines.
The molecule <smiles>O[C@H]1[C@H](O)[C@H](OC(=O)[C@@H]1O)C(O)=O</smiles> is A glucarolactone formed via intramolecular cyclocondensation of the 5-hydroxy and 1-carboxy groups of D-glucaric acid. Its functional parent is D-glucaric acid. It is a conjugate acid of D-glucaro-1,5-lactone(1-). It is also related to or classified as glucarolactone . It is also related to or classified as carbohydrate acid.
The molecule <smiles>OC(=O)c1ccc(o1)C(O)=O</smiles> is A member of the class of furans carrying two carboxy substituents at positions 2 and 5. It has the role of human urinary metabolite. It is a conjugate acid of furan-2,5-dicarboxylate. It is also related to or classified as furans, dicarboxylic acid.
The molecule <smiles>OCCn1cc(c(n1)-c1ccncc1)-c1ccc2\C(CCc2c1)=N\O</smiles> is A member of the class of pyrazoles that is 1-(2-hydroxyethyl)pyrazole carrying additional 4-pyridyl and 1-(hydroxyimino)indan-5-yl substituents at positions 3 and 4 respectively. It has the role of antineoplastic agent. It has the role of B-Raf inhibitor. It is also related to or classified as primary alcohol . It is also related to or classified as ketoxime . It is also related to or classified as pyrazoles, pyridines, indanes.
The molecule <smiles>Cc1sc(c(C(=O)NCC=C)c1C)[Si](C)(C)C</smiles> is A monocarboxylic acid amide obtained by formal condensation of the carboxy group from 4,5-dimethyl-2-(trimethylsilyl)thiophene-3-carboxlic acid with the amino group of allylamine. A fungicide seed dressing for cereals used mainly to control 'take-all'. It has the role of antifungal agrochemical.   It is also related to or classified as monocarboxylic acid amide . It is also related to or classified as organosilicon compound, thiophenes, amide fungicide, olefinic compound.
The molecule <smiles>[O-]C(=O)c1ccc(o1)C([O-])=O</smiles> is A dicarboxylic acid dianion obtained by deprotonation of both carboxy groups of furan-2,5-dicarboxylic acid; major species at pH 7.3. It is also related to or classified as dicarboxylic acid dianion . It is also related to or classified as furancarboxylate.
The molecule <smiles>CCCCCCCC(=O)OC[C@H](COP([O-])(=O)O[C@@H]1[C@H](O)[C@H](OP([O-])([O-])=O)[C@@H](OP([O-])([O-])=O)[C@H](OP([O-])([O-])=O)[C@H]1O)OC(=O)CCCCCCC</smiles> is A 1-phosphatidyl-1D-myo-inositol 3,4,5-trisphosphate(7-) in which the phosphatidyl acyl groups at positions 1 and 2 are both specified as octanoyl. It is also related to or classified as 1-phosphatidyl-1D-myo-inositol 3,4,5-trisphosphate(7-) .
The molecule <smiles>COC(=O)C[C@H]1N=C(c2c(C)c(C)sc2-n2c(C)nnc12)c1ccc(Cl)cc1</smiles> is A member of the class of thienotriazolodiazepines that is the methyl ester of [(6R)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]acetic acid. It is also related to or classified as methyl ester . It is also related to or classified as monochlorobenzenes, thienotriazolodiazepine.
The molecule <smiles>CCCCCCCC(=O)OC[C@H](COP([O-])(=O)O[C@H]1[C@H](O)[C@@H](O)[C@H](OP([O-])([O-])=O)[C@@H](OP([O-])([O-])=O)[C@H]1O)OC(=O)CCCCCCC</smiles> is A 1-phosphatidyl-1D-myo-inositol 3,4-bisphosphate(5-) in which the phosphatidyl acyl groups at positions 1 and 2 are both specified as octanoyl. It is also related to or classified as 1-phosphatidyl-1D-myo-inositol 3,4-bisphosphate(5-) .
The molecule <smiles>CCCCCCCC(=O)OC[C@H](COP(O)(=O)O[C@H]1[C@H](O)[C@@H](O)[C@H](OP(O)(O)=O)[C@@H](OP(O)(O)=O)[C@H]1O)OC(=O)CCCCCCC</smiles> is A 1-phosphatidyl-1D-myo-inositol 3,4-bisphosphate in which the phosphatidyl acyl groups at positions 1 and 2 are both specified as octanoyl. It is a conjugate acid of 1,2-dioctanoyl-sn-glycero-3-phospho-(1D-myo-inositol-3,4-bisphosphate)(5-). It is also related to or classified as 1-phosphatidyl-1D-myo-inositol 3,4-bisphosphate . It is also related to or classified as octanoate ester .
The molecule <smiles>COC(=O)C[C@@H]1N=C(c2c(C)c(C)sc2-n2c(C)nnc12)c1ccc(Cl)cc1</smiles> is A member of the class of thienotriazolodiazepines that is the methyl ester of [(6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]acetic acid. A bromodomain and extra-terminal domain (BET)-specific inhibitor that belongs to a group of thienodiazepine-based compounds. It is also related to or classified as methyl ester . It is also related to or classified as monochlorobenzenes, thienotriazolodiazepine.
The molecule <smiles>CCCCCCCC(=O)OC[C@H](COP(O)(=O)O[C@@H]1[C@H](O)[C@H](O)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@H]1O)OC(=O)CCCCCCC</smiles> is A 1-phosphatidyl-1D-myo-inositol 4,5-bisphosphate in which the phosphatidyl acyl groups at positions 1 and 2 are both specified as octanoyl. It is a conjugate acid of 1,2-dioctanoyl-sn-glycero-3-phospho-(1D-myo-inositol-4,5-bisphosphate)(5-). It is also related to or classified as 1-phosphatidyl-1D-myo-inositol 4,5-bisphosphate . It is also related to or classified as octanoate ester .
The molecule <smiles>[O-]P([O-])(=O)OCc1coc(C=O)c1</smiles> is an organophosphate oxoanion obtained by deprotonation of the phosphate OH groups of 5-(phosphooxymethyl)-2-furancarboxaldehyde; major species at pH 7.3. It is also related to or classified as organophosphate oxoanion.
The molecule <smiles>CCCCCCCC(=O)OC[C@H](COP([O-])(=O)O[C@@H]1[C@H](O)[C@H](O)[C@@H](OP([O-])([O-])=O)[C@H](OP([O-])([O-])=O)[C@H]1O)OC(=O)CCCCCCC</smiles> is A 1-phosphatidyl-1D-myo-inositol 4,5-bisphosphate(5-) in which the phosphatidyl acyl groups at positions 1 and 2 are both specified as octanoyl. It is also related to or classified as 1-phosphatidyl-1D-myo-inositol 4,5-bisphosphate(5-) .
The molecule <smiles>OP(O)(=O)OCc1coc(C=O)c1</smiles> is A member of the class of furans that is 2-furfural substituted at position 4 by a phosphooxymethyl group. It has the role of bacterial metabolite. It is a conjugate acid of 4-(phosphooxymethyl)-2-furancarboxaldehyde(2-).   It is also related to or classified as arenecarbaldehyde . It is also related to or classified as furans, organic phosphate.
The molecule <smiles>CCCCCCCC(=O)OC[C@H](COP(O)(=O)O[C@@H]1[C@H](O)[C@H](OP(O)(O)=O)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@H]1O)OC(=O)CCCCCCC</smiles> is A 1-phosphatidyl-1D-myo-inositol 3,4,5-trisphosphate in which the phosphatidyl acyl groups at positions 1 and 2 are both specified as octanoyl. It is a conjugate acid of 1,2-dioctanoyl-sn-glycero-3-phospho-(1D-myo-inositol-3,4,5-trisphosphate)(7-). It is also related to or classified as 1-phosphatidyl-1D-myo-inositol 3,4,5-trisphosphate . It is also related to or classified as octanoate ester .
The molecule <smiles>CCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)O[C@H]1[C@H](O)[C@@H](O)[C@H](OP([O-])([O-])=O)[C@@H](OP([O-])([O-])=O)[C@H]1O)OC(=O)CCCCCCCCCCCCCCC</smiles> is A 1-phosphatidyl-1D-myo-inositol 3,4-bisphosphate(5-) in which the phosphatidyl acyl groups at positions 1 and 2 are both specified as hexadecanoyl (palmitoyl). It is also related to or classified as 1-phosphatidyl-1D-myo-inositol 3,4-bisphosphate(5-) .
The molecule <smiles>[NH3+][C@@H](CCC(=O)NCCc1ccc(O)cc1)C([O-])=O</smiles> is an L-alpha-amino acid zwitterion obtained by transfer of a proton from the carboxy to the amino group of gamma-glutamyltyramine. It is also related to or classified as L-alpha-amino acid zwitterion .
The molecule <smiles>C[C@H](O)CONC(=O)c1oc2c(F)cncc2c1Nc1ccc(I)cc1F</smiles> is A monocarboxylic acid amide obtained by formal condensation of the carboxy group of 7-fluoro-3-[(2-fluoro-4-iodophenyl)amino]furo[3,2-c]pyridine-2-carboxylic acid with the amino group of (2S)-1-(aminooxy)propan-2-ol. It has the role of antineoplastic agent. It has the role of EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor. 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 organoiodine compound . It is also related to or classified as organofluorine compound . It is also related to or classified as aromatic amine, furopyridine, secondary amino compound.
The molecule <smiles>CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)O[C@@H]1[C@H](O)[C@H](OP(O)(O)=O)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@H]1O)OC(=O)CCCCCCCCCCCCCCC</smiles> is A 1-phosphatidyl-1D-myo-inositol 3,4,5-trisphosphate in which the phosphatidyl acyl groups at positions 1 and 2 are both specified as hexadecanoyl (palmitoyl). Its functional parent is hexadecanoic acid. It is a conjugate acid of 1,2-dihexadecanoyl-sn-glycero-3-phospho-(1D-myo-inositol-3,4,5-trisphosphate)(7-). It is also related to or classified as 1-phosphatidyl-1D-myo-inositol 3,4,5-trisphosphate .
The molecule <smiles>N[C@@H](CCC(=O)NCCc1ccc(O)cc1)C(O)=O</smiles> is an L-glutamine derivative obtained by formal condensation of the side-chain carboxy group of glutamic acid with the amino group of tyramine. It has the role of bacterial metabolite. Its functional parent is tyramine. It is also related to or classified as L-glutamine derivative, dicarboxylic acid monoamide.
The molecule <smiles>COc1ccc(cc1OC)C(=C/C(=O)N1CCOCC1)\c1ccc(F)cc1</smiles> is an enamide resulting from the formal condensation of (2Z)-3-(4-fluorophenyl)-3-(3,4-dimethoxyphenyl)acrylic acid with the amino group of morpholine. It is also related to or classified as tertiary carboxamide .  It is also related to or classified as organofluorine compound .  It is also related to or classified as enamide . It is also related to or classified as aromatic ether, morpholines.
The molecule <smiles>CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)O[C@@H]1[C@H](O)[C@H](O)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@H]1O)OC(=O)CCCCCCCCCCCCCCC</smiles> is A 1-phosphatidyl-1D-myo-inositol 4,5-bisphosphate in which the phosphatidyl acyl groups at positions 1 and 2 are both specified as hexadecanoyl (palmitoyl). Its functional parent is hexadecanoic acid. It is a conjugate acid of 1,2-dihexadecanoyl-sn-glycero-3-phospho-(1D-myo-inositol-4,5-bisphosphate)(5-). It is also related to or classified as 1-phosphatidyl-1D-myo-inositol 4,5-bisphosphate .
The molecule <smiles>CCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)O[C@@H]1[C@H](O)[C@H](O)[C@@H](OP([O-])([O-])=O)[C@H](OP([O-])([O-])=O)[C@H]1O)OC(=O)CCCCCCCCCCCCCCC</smiles> is A 1-phosphatidyl-1D-myo-inositol 4,5-bisphosphate(5-) in which the phosphatidyl acyl groups at positions 1 and 2 are both specified as hexadecanoyl (palmitoyl). It is also related to or classified as 1-phosphatidyl-1D-myo-inositol 4,5-bisphosphate(5-) .
The molecule <smiles>O1[C@@]2([C@H]([C@@]([C@@H]([C@@H]1O)O)([H])OC2)O)[H]</smiles> is an anhydrohexose obtained by formation of a ring across the 3 and 6 positions of alpha-L-galactopyranose. It has the role of marine metabolite. Its functional parent is alpha-L-galactose. It is also related to or classified as anhydrohexose . It is also related to or classified as bridged compound.
The molecule <smiles>NCc1cc(COP(O)(O)=O)co1</smiles> is A member of the class of furans that is 2-furylmethylamine substituted at position 4 by a phosphooxymethyl group. It has the role of bacterial metabolite. It is a conjugate acid of [5-(ammoniomethyl)-3-furyl]methyl phosphate(1-). It is also related to or classified as furans, organic phosphate, primary amino compound.
The molecule <smiles>CCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)O[C@@H]1[C@H](O)[C@H](O)[C@@H](OP([O-])([O-])=O)[C@H](O)[C@H]1O)OC(=O)CCCCCCCCCCCCCCC</smiles> is A 1-phosphatidyl-1D-myo-inositol 4-phosphate(3-) in which the phosphatidyl acyl groups at positions 1 and 2 are both specified as hexadecanoyl (palmitoyl). It is also related to or classified as 1-phosphatidyl-1D-myo-inositol 4-phosphate(3-) .
The molecule <smiles>[NH3+]Cc1cc(COP([O-])([O-])=O)co1</smiles> is an organophosphate oxoanion obtained by deprotonation of the phosphate OH groups and protonation of the amino group of [5-(aminomethyl)-3-furyl]methyl phosphate; major species at pH 7.3. It is also related to or classified as organophosphate oxoanion.
The molecule <smiles>CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)O[C@H]1[C@H](O)[C@@H](O)[C@H](OP(O)(O)=O)[C@@H](OP(O)(O)=O)[C@H]1O)OC(=O)CCCCCCCCCCCCCCC</smiles> is A 1-phosphatidyl-1D-myo-inositol 3,4-bisphosphate in which the phosphatidyl acyl groups at positions 1 and 2 are both specified as hexadecanoyl (palmitoyl). Its functional parent is hexadecanoic acid. It is a conjugate acid of 1,2-dihexadecanoyl-sn-glycero-3-phospho-(1D-myo-inositol-3,4-bisphosphate)(5-). It is also related to or classified as 1-phosphatidyl-1D-myo-inositol 3,4-bisphosphate .
The molecule <smiles>C(=O)(NC1=CC=C(C=C1)NC2=NC=CC(=N2)NC3=NNC(=C3)C4CCCC4)NC5=CC=CC(=C5)C(F)(F)F</smiles> is A member of the class of phenylureas that is urea with 4-[[4-[(5-cyclopentylpyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl and 3-[3-(trifluoromethyl)phenyl substituents at positions N1 and N3. It has the role of antineoplastic agent. It is also related to or classified as phenylureas, cyclopentanes, pyrazoles, aminopyrimidine, secondary amino compound.
The molecule <smiles>COc1ccc(cc1)C(CN)C1(O)CCCCC1</smiles> is A  monomethoxybenzene that is the N,N-didesmethyl 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 amino alcohol, cyclohexanols, monomethoxybenzene, primary amino compound.
The molecule <smiles>O[C@@H]([C@@H]1OC[C@H](O)[C@H]1O)C([O-])=O</smiles> is A carbohydrate acid anion that is the conjugate base of 3,6-anhydro-L-galactonic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It has the role of marine metabolite. Its functional parent is L-galactonate. It is also related to or classified as carbohydrate acid anion.
The molecule <smiles>COc1ccc(cc1OC)C(=C\C(=O)N1CCOCC1)\c1ccc(F)cc1</smiles> is an enamide resulting from the formal condensation of (2E)-3-(4-fluorophenyl)-3-(3,4-dimethoxyphenyl)acrylic acid with the amino group of morpholine. It is also related to or classified as tertiary carboxamide .  It is also related to or classified as organofluorine compound .  It is also related to or classified as enamide . It is also related to or classified as aromatic ether, morpholines.
The molecule <smiles>Cc1nnc(-c2ccccc2)c(=O)[nH]1</smiles> is A member of the class of 1,2,4-triazines that is  metamitron in which the amino group has been replaced by a hydrogen atom. It is a metabolite of  metamitron. It has the role of marine xenobiotic metabolite. Its functional parent is metamitron. It is also related to or classified as 1,2,4-triazines.
The molecule <smiles>NC(=[NH2+])NCCCC(=[NH2+])C([O-])=O</smiles> is A guanidinium ion obtained by protonation of iminoarginine; major species at pH 7.3. It is also related to or classified as guanidinium ion .
The molecule <smiles>CC1CNCCN1S(=O)(=O)c1cccc2cnccc12</smiles> is A member of the class of N-sulfonylpiperazines that is 2-methylpiperazine substituted at position 1 by a 5-isoquinolinesulfonyl group. It has the role of EC 2.7.11.13 (protein kinase C) inhibitor. It is also related to or classified as isoquinolines, N-sulfonylpiperazine.
The molecule <smiles>CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)O[C@@H]1[C@H](O)[C@H](O)[C@@H](OP(O)(O)=O)[C@H](O)[C@H]1O)OC(=O)CCCCCCCCCCCCCCC</smiles> is A 1-phosphatidyl-1D-myo-inositol 4-phosphate in which the phosphatidyl acyl groups at positions 1 and 2 are both specified as hexadecanoyl (palmitoyl). Its functional parent is hexadecanoic acid. It is a conjugate acid of 1,2-dihexadecanoyl-sn-glycero-3-phospho-(1D-myo-inositol-4-phosphate)(3-). It is also related to or classified as 1-phosphatidyl-1D-myo-inositol 4-phosphate .
The molecule <smiles>CCc1cccc(CC)c1N(COC)C(=O)C(O)=O</smiles> is an oxo monocarboxylic acid that is oxoacetic acid substituted by a (2,6-diethylphenyl)(methoxymethyl)amino group at position 2. It is a metabolite of the herbicide alachlor. It has the role of marine xenobiotic metabolite. It is also related to or classified as ether . It is also related to or classified as oxo monocarboxylic acid, aromatic amide.
The molecule <smiles>Cc1ccc2[nH]nnc2c1</smiles> is A member of the class of  benzotriazoles that is 1H-benzotriazole substituted by a methyl group at position 5. It has the role of xenobiotic. It has the role of environmental contaminant. It is also related to or classified as benzotriazoles.
The molecule <smiles>CCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)O[C@@H]1[C@H](O)[C@H](OP([O-])([O-])=O)[C@@H](OP([O-])([O-])=O)[C@H](OP([O-])([O-])=O)[C@H]1O)OC(=O)CCCCCCCCCCCCCCC</smiles> is A 1-phosphatidyl-1D-myo-inositol 3,4,5-trisphosphate(7-) in which the phosphatidyl acyl groups at positions 1 and 2 are both specified as hexadecanoyl (palmitoyl). It is also related to or classified as 1-phosphatidyl-1D-myo-inositol 3,4,5-trisphosphate(7-) .
The molecule <smiles>CC(C)(C)c1n[nH]c(=O)n(N)c1=O</smiles> is A member of the class of  1,2,4-triazines that is 1,2,4-triazine-3,5(2H,4H)-dione substituted by an amino group at position 4 and a tert-butyl group at position 6. It is a metabolite of metribuzin. It has the role of marine xenobiotic metabolite.  It is also related to or classified as diketone . It is also related to or classified as 1,2,4-triazines.
The molecule <smiles>CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1nc(C)cc(C)n1</smiles> is A sulfonamide that is benzenesulfonamide substituted by an acetylamino group at position 4 and a 4,6-dimethyl-pyrimidin-2-yl group at the nitrogen atom. It is a metabolite of the antibiotic sulfamethazine. It has the role of marine xenobiotic metabolite.  It is also related to or classified as sulfonamide . It is also related to or classified as acetamides, pyrimidines.
The molecule <smiles>COc1ccc(cc1OC)C(=CC(=O)N1CCOCC1)c1ccc(F)cc1</smiles> is A mixture comprising approximately equal amounts of (E)- and (Z)-fluomorph. It is used as an agrochemical fungicide for the control oomcyetes such as downey mildew on vegetables and grapes. It has the role of antifungal agrochemical. It is also related to or classified as mixture, morpholine fungicide.
The molecule <smiles>CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1nccs1</smiles> is A sulfonamide that is benzenesulfonamide substituted by an acetylamino group at position 4 and a 1,3-thiazol-2-yl group at the nitrogen atom. It is a metabolite of sulfathiazole. It has the role of marine xenobiotic metabolite.  It is also related to or classified as sulfonamide . It is also related to or classified as acetamides, 1,3-thiazoles.
The molecule <smiles>CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ncccn1</smiles> is A  sulfonamide that is benzenesulfonamide substituted by an acetylamino group at position 4 and a pyrimidin-2-yl group at the nitrogen atom. It is a metabolite of the drug sulfadiazine. It has the role of marine xenobiotic metabolite.  It is also related to or classified as sulfonamide . It is also related to or classified as acetamides, pyrimidines.
The molecule <smiles>CCOCN(C(=O)C(O)=O)c1c(C)cccc1CC</smiles> is A monocarboxylic acid that is oxoacetic acid substituted by a (ethoxymethyl)(2-ethyl-6-methylphenyl)amino group at position 2. It is a metabolite of acetochlor. It has the role of marine xenobiotic metabolite.  It is also related to or classified as ether . It is also related to or classified as monocarboxylic acid, aromatic amide.
The molecule <smiles>CCc1cccc(CC)c1N(COC)C(=O)CS(O)(=O)=O</smiles> is an organosulfonic acid that is 2-oxoethanesulfonic acid substituted by (2,6-diethylphenyl)(methoxymethyl)amino group at position 2. It is a metabolite of alachlor. It has the role of marine xenobiotic metabolite. It is also related to or classified as ether . It is also related to or classified as organosulfonic acid . It is also related to or classified as aromatic amide.
The molecule <smiles>CCOCN(C(=O)CS(O)(=O)=O)c1c(C)cccc1CC</smiles> is an organosulfonic acid that is 2-oxoethanesulfonic acid substituted by an (ethoxymethyl)(2-ethyl-6-methylphenyl)amino group at position 2. It has the role of marine xenobiotic metabolite. It is also related to or classified as ether . It is also related to or classified as organosulfonic acid . It is also related to or classified as aromatic amide.
The molecule <smiles>S1C=CC(=C1C(OC)=O)S(NC(=O)NC=2N=C(N=C(N2)OC)C)(=O)=O</smiles> is A methyl ester resulting from the formal condensation of the carboxy group of thifensulfuron with methanol. It is used  as a post-emergence herbicide for the control of grass and broad-leaved weeds. 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. Its functional parent is thifensulfuron. It is also related to or classified as methyl ester .   It is also related to or classified as N-sulfonylurea . It is also related to or classified as 1,3,5-triazines, thiophenes.
The molecule <smiles>COCC(C)N(C(=O)C(O)=O)c1c(C)csc1C</smiles> is A monocarboxylic acid that is oxoacetic acid substituted by a (2,4-dimethylthiophen-3-yl)(1-methoxypropan-2-yl)amino group at position 2. It is a metabolite of the herbicide dimethenamid. It has the role of marine xenobiotic metabolite.  It is also related to or classified as ether . It is also related to or classified as monocarboxylic acid, thiophenes, aromatic amide.
The molecule <smiles>COCC(C)N(C(=O)CS(O)(=O)=O)c1c(C)csc1C</smiles> is an organosulfonic acid that is 2-oxoethanesulfonic acid substituted by a (2,4-dimethylthiophen-3-yl)(1-methoxypropan-2-yl)amino group at position 2. It has the role of marine xenobiotic metabolite. It is also related to or classified as ether .  It is also related to or classified as organosulfonic acid . It is also related to or classified as thiophenes, aromatic amide.
The molecule <smiles>CCc1cccc(C)c1N([C@H](C)COC)C(=O)C(O)=O</smiles> is the (R)-enantiomer of  [(2-ethyl-6-methylphenyl)(1-methoxypropan-2-yl)amino](oxo)acetic acid. It is also related to or classified as [(2-ethyl-6-methylphenyl)(1-methoxypropan-2-yl)amino](oxo)acetic acid .
The molecule <smiles>CN(C)S(=O)(=O)Nc1ccccc1</smiles> is A member of the class of sulfamides that is N-phenylsulfuric diamide substituted by two methyl groups at the amino nitrogen atom. It is a metabolite of the agrochemical dichlofluanid. It has the role of marine xenobiotic metabolite. It is also related to or classified as sulfamides.