anonymous041/ChEBI-Augmented huggingface dataset:
The molecule CCCCCC[C@H](C)c1cc(cc(c1OC(=O)\C=C\C)[N+]([O-])=O)[N+]([O-])=O CCCCCC[C@H](C)c1cc(cc(c1OC(=O)\C=C\C)[N+]([O-])=O)[N+]([O-])=O is A 2,4-dinitro-6-(octan-2-yl)phenyl (E)-but-2-enoate that is the (S)-enantiomer of meptyldinocap. It is also related to or classified as 2,4-dinitro-6-(octan-2-yl)phenyl (E)-but-2-enoate  .
The molecule Nc1c(c(nn1-c1c(Cl)cc(cc1Cl)C(F)(F)F)C#N)S(=O)C(F)(F)F Nc1c(c(nn1-c1c(Cl)cc(cc1Cl)C(F)(F)F)C#N)S(=O)C(F)(F)F 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 [O-]C(=O)c1ccc(C=O)o1 [O-]C(=O)c1ccc(C=O)o1 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 OC(O)c1ccc(o1)C([O-])=O OC(O)c1ccc(o1)C([O-])=O 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 O[C@H]1[C@H](O)[C@H](OC(=O)[C@@H]1O)C([O-])=O O[C@H]1[C@H](O)[C@H](OC(=O)[C@@H]1O)C([O-])=O 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 CCCCCCCCc1c(CC)nc2ncnn2c1N CCCCCCCCc1c(CC)nc2ncnn2c1N 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 O[C@H]1[C@H](O)[C@H](OC(=O)[C@@H]1O)C(O)=O O[C@H]1[C@H](O)[C@H](OC(=O)[C@@H]1O)C(O)=O 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 OC(=O)c1ccc(o1)C(O)=O OC(=O)c1ccc(o1)C(O)=O 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 OCCn1cc(c(n1)-c1ccncc1)-c1ccc2\C(CCc2c1)=N\O OCCn1cc(c(n1)-c1ccncc1)-c1ccc2\C(CCc2c1)=N\O 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 Cc1sc(c(C(=O)NCC=C)c1C)[Si](C)(C)C Cc1sc(c(C(=O)NCC=C)c1C)[Si](C)(C)C 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 [O-]C(=O)c1ccc(o1)C([O-])=O [O-]C(=O)c1ccc(o1)C([O-])=O 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 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 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 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 COC(=O)C[C@H]1N=C(c2c(C)c(C)sc2-n2c(C)nnc12)c1ccc(Cl)cc1 COC(=O)C[C@H]1N=C(c2c(C)c(C)sc2-n2c(C)nnc12)c1ccc(Cl)cc1 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 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 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 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 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 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 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 COC(=O)C[C@@H]1N=C(c2c(C)c(C)sc2-n2c(C)nnc12)c1ccc(Cl)cc1 COC(=O)C[C@@H]1N=C(c2c(C)c(C)sc2-n2c(C)nnc12)c1ccc(Cl)cc1 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 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 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 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 [O-]P([O-])(=O)OCc1coc(C=O)c1 [O-]P([O-])(=O)OCc1coc(C=O)c1 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 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 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 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 OP(O)(=O)OCc1coc(C=O)c1 OP(O)(=O)OCc1coc(C=O)c1 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 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 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 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 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 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 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 [NH3+][C@@H](CCC(=O)NCCc1ccc(O)cc1)C([O-])=O [NH3+][C@@H](CCC(=O)NCCc1ccc(O)cc1)C([O-])=O 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 C[C@H](O)CONC(=O)c1oc2c(F)cncc2c1Nc1ccc(I)cc1F C[C@H](O)CONC(=O)c1oc2c(F)cncc2c1Nc1ccc(I)cc1F 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 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 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 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 N[C@@H](CCC(=O)NCCc1ccc(O)cc1)C(O)=O N[C@@H](CCC(=O)NCCc1ccc(O)cc1)C(O)=O 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 COc1ccc(cc1OC)C(=C/C(=O)N1CCOCC1)\c1ccc(F)cc1 COc1ccc(cc1OC)C(=C/C(=O)N1CCOCC1)\c1ccc(F)cc1 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 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 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 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 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 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 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 O1[C@@]2([C@H]([C@@]([C@@H]([C@@H]1O)O)([H])OC2)O)[H] O1[C@@]2([C@H]([C@@]([C@@H]([C@@H]1O)O)([H])OC2)O)[H] 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 NCc1cc(COP(O)(O)=O)co1 NCc1cc(COP(O)(O)=O)co1 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 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 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 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 [NH3+]Cc1cc(COP([O-])([O-])=O)co1 [NH3+]Cc1cc(COP([O-])([O-])=O)co1 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 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 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 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 C(=O)(NC1=CC=C(C=C1)NC2=NC=CC(=N2)NC3=NNC(=C3)C4CCCC4)NC5=CC=CC(=C5)C(F)(F)F C(=O)(NC1=CC=C(C=C1)NC2=NC=CC(=N2)NC3=NNC(=C3)C4CCCC4)NC5=CC=CC(=C5)C(F)(F)F 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 COc1ccc(cc1)C(CN)C1(O)CCCCC1 COc1ccc(cc1)C(CN)C1(O)CCCCC1 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 O[C@@H]([C@@H]1OC[C@H](O)[C@H]1O)C([O-])=O O[C@@H]([C@@H]1OC[C@H](O)[C@H]1O)C([O-])=O 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 COc1ccc(cc1OC)C(=C\C(=O)N1CCOCC1)\c1ccc(F)cc1 COc1ccc(cc1OC)C(=C\C(=O)N1CCOCC1)\c1ccc(F)cc1 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 Cc1nnc(-c2ccccc2)c(=O)[nH]1 Cc1nnc(-c2ccccc2)c(=O)[nH]1 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 NC(=[NH2+])NCCCC(=[NH2+])C([O-])=O NC(=[NH2+])NCCCC(=[NH2+])C([O-])=O 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 CC1CNCCN1S(=O)(=O)c1cccc2cnccc12 CC1CNCCN1S(=O)(=O)c1cccc2cnccc12 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 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 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 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 CCc1cccc(CC)c1N(COC)C(=O)C(O)=O CCc1cccc(CC)c1N(COC)C(=O)C(O)=O 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 Cc1ccc2[nH]nnc2c1 Cc1ccc2[nH]nnc2c1 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 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 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 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 CC(C)(C)c1n[nH]c(=O)n(N)c1=O CC(C)(C)c1n[nH]c(=O)n(N)c1=O 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 CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1nc(C)cc(C)n1 CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1nc(C)cc(C)n1 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 COc1ccc(cc1OC)C(=CC(=O)N1CCOCC1)c1ccc(F)cc1 COc1ccc(cc1OC)C(=CC(=O)N1CCOCC1)c1ccc(F)cc1 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 CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1nccs1 CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1nccs1 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 CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ncccn1 CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ncccn1 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 CCOCN(C(=O)C(O)=O)c1c(C)cccc1CC CCOCN(C(=O)C(O)=O)c1c(C)cccc1CC 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 CCc1cccc(CC)c1N(COC)C(=O)CS(O)(=O)=O CCc1cccc(CC)c1N(COC)C(=O)CS(O)(=O)=O 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 .