loading...| Preferred Name |
mesotrione |
| Synonyms |
2-[4-(methanesulfonyl)-2-nitrobenzoyl]cyclohexane-1,3-dione 2-(2'-nitro-4'-methylsulfonylbenzoyl)cyclohexane-1,3-dione (2-nitro-4-(methylsullfonyl))benzoylcyclohexane-1,3-dione 2-(4-methylsulphonyl-2-nitrobenzoyl)-1,3-cyclohexanedione 2-[4-(methylsulfonyl)-2-nitrobenzoyl]-1,3-cyclohexanedione Tenacity |
| Definitions |
An aromatic ketone that is cyclohexa-1,3-dione in which one of the hydrogens at position 2 is substituted by a 4-(methanesulfonyl)-2-nitrobenzoyl group. |
| ID |
http://purl.obolibrary.org/obo/CHEBI_38321 |
| charge |
0 |
| database_cross_reference |
Wikipedia:Mesotrione Patent:WO2011016018 PMID:11455642 Pesticides:mesotrione CAS:104206-82-8 PPDB:442 Reaxys:8999656 PMID:20692682 |
| definition |
An aromatic ketone that is cyclohexa-1,3-dione in which one of the hydrogens at position 2 is substituted by a 4-(methanesulfonyl)-2-nitrobenzoyl group. |
| formula |
C14H13NO7S |
| has functional parent | |
| has role |
http://purl.obolibrary.org/obo/CHEBI_24527 http://purl.obolibrary.org/obo/CHEBI_35703 http://purl.obolibrary.org/obo/CHEBI_138208 |
| has_exact_synonym |
2-[4-(methanesulfonyl)-2-nitrobenzoyl]cyclohexane-1,3-dione |
| has_obo_namespace |
chebi_ontology |
| has_related_synonym |
2-(2'-nitro-4'-methylsulfonylbenzoyl)cyclohexane-1,3-dione (2-nitro-4-(methylsullfonyl))benzoylcyclohexane-1,3-dione 2-(4-methylsulphonyl-2-nitrobenzoyl)-1,3-cyclohexanedione 2-[4-(methylsulfonyl)-2-nitrobenzoyl]-1,3-cyclohexanedione Tenacity |
| id |
CHEBI:38321 |
| in_subset | |
| inchi |
InChI=1S/C14H13NO7S/c1-23(21,22)8-5-6-9(10(7-8)15(19)20)14(18)13-11(16)3-2-4-12(13)17/h5-7,13H,2-4H2,1H3 |
| inchikey |
KPUREKXXPHOJQT-UHFFFAOYSA-N |
| label |
mesotrione |
| mass |
339.32156 |
| monoisotopicmass |
339.04127 |
| notation |
CHEBI:38321 |
| prefLabel |
mesotrione |
| smiles |
CS(=O)(=O)c1ccc(C(=O)C2C(=O)CCCC2=O)c(c1)[N+]([O-])=O |
| treeView |
http://purl.obolibrary.org/obo/CHEBI_35716 http://purl.obolibrary.org/obo/CHEBI_35850 |
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_35716 http://purl.obolibrary.org/obo/CHEBI_35850 |
| Delete | Mapping To | Ontology | Source |
|---|---|---|---|
| http://purl.obolibrary.org/obo/CHEBI_38321 | The Drug Ontology / 药物本体 | LOOM | |
| http://purl.obolibrary.org/obo/CHEBI_38321 | The Drug Ontology / 药物本体 | SAME_URI | |
| http://purl.bioontology.org/ontology/MESH/C432907 | Medical Subject Headings / 医学主题词表 | LOOM |