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The Prescription of Drugs Ontology
| Preferred Name | mesotrione | |
| Synonyms |
2-[4-(methylsulfonyl)-2-nitrobenzoyl]-1,3-cyclohexanedione (2-nitro-4-(methylsullfonyl))benzoylcyclohexane-1,3-dione 2-(2'-nitro-4'-methylsulfonylbenzoyl)cyclohexane-1,3-dione 2-(4-methylsulphonyl-2-nitrobenzoyl)-1,3-cyclohexanedione Tenacity 2-[4-(methanesulfonyl)-2-nitrobenzoyl]cyclohexane-1,3-dione |
|
| 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 |
|
| alternative term |
2-[4-(methylsulfonyl)-2-nitrobenzoyl]-1,3-cyclohexanedione (2-nitro-4-(methylsullfonyl))benzoylcyclohexane-1,3-dione 2-(2'-nitro-4'-methylsulfonylbenzoyl)cyclohexane-1,3-dione 2-(4-methylsulphonyl-2-nitrobenzoyl)-1,3-cyclohexanedione Tenacity 2-[4-(methanesulfonyl)-2-nitrobenzoyl]cyclohexane-1,3-dione
|
|
| bearer_of |
http://purl.obolibrary.org/obo/CHEBI_138208 http://purl.obolibrary.org/obo/CHEBI_35703 http://purl.obolibrary.org/obo/CHEBI_24527 |
|
| charge |
0
|
|
| database_cross_reference |
CAS:104206-82-8 PMID:20692682 Reaxys:8999656 Patent:WO2011016018 Pesticides:mesotrione Wikipedia:Mesotrione PMID:11455642 PPDB:442
|
|
| formula |
C14H13NO7S
|
|
| has functional parent | ||
| has role |
http://purl.obolibrary.org/obo/CHEBI_138208 http://purl.obolibrary.org/obo/CHEBI_35703 http://purl.obolibrary.org/obo/CHEBI_24527 |
|
| has_exact_synonym |
2-[4-(methanesulfonyl)-2-nitrobenzoyl]cyclohexane-1,3-dione
|
|
| has_obo_namespace |
chebi_ontology
|
|
| has_related_synonym |
2-[4-(methylsulfonyl)-2-nitrobenzoyl]-1,3-cyclohexanedione (2-nitro-4-(methylsullfonyl))benzoylcyclohexane-1,3-dione 2-(2'-nitro-4'-methylsulfonylbenzoyl)cyclohexane-1,3-dione 2-(4-methylsulphonyl-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
|
|
| textual 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.
|
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_35850 http://purl.obolibrary.org/obo/CHEBI_140323 |
| Delete | Subject | Author | Type | Created |
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