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CHEBI:83465 - sulcotrione

ChEBI IDCHEBI:83465
ChEBI Namesulcotrione
Stars
DefinitionAn aromatic ketone that is cyclohexane-1,3-dione substituted by a 2-chloro-4-(methylsulfonyl)benzoyl group at position 2.
Last Modified4 March 2018
DownloadsMolfile
FormulaC14H13ClO5S
Net Charge0
Average Mass328.773
Monoisotopic Mass328.01722
SMILESCS(=O)(=O)c1ccc(C(=O)C2C(=O)CCCC2=O)c(Cl)c1
InChIInChI=1S/C14H13ClO5S/c1-21(19,20)8-5-6-9(10(15)7-8)14(18)13-11(16)3-2-4-12(13)17/h5-7,13H,2-4H2,1H3
InChIKeyPQTBTIFWAXVEPB-UHFFFAOYSA-N
Roles Classification
Chemical Role:
environmental contaminant  Any minor or unwanted substance introduced into the environment that can have undesired effects.
Biological Roles:
xenobiotic  A xenobiotic (Greek, xenos "foreign"; bios "life") is a compound that is foreign to a living organism. Principal xenobiotics include: drugs, carcinogens and various compounds that have been introduced into the environment by artificial means.
carotenoid biosynthesis inhibitor  Any pathway inhibitor that acts on the carotenoid biosynthesis pathway.
Application:
herbicide  A substance used to destroy plant pests.
ChEBI Ontology
Outgoing Relation(s)
sulcotrione (CHEBI:83465) has role carotenoid biosynthesis inhibitor (CHEBI:138208)
sulcotrione (CHEBI:83465) has role environmental contaminant (CHEBI:78298)
sulcotrione (CHEBI:83465) has role herbicide (CHEBI:24527)
sulcotrione (CHEBI:83465) has role xenobiotic (CHEBI:35703)
sulcotrione (CHEBI:83465) is a aromatic ketone (CHEBI:76224)
sulcotrione (CHEBI:83465) is a cyclohexanones (CHEBI:23482)
sulcotrione (CHEBI:83465) is a sulfone (CHEBI:35850)
sulcotrione (CHEBI:83465) is a β-triketone (CHEBI:140323)
IUPAC Name 
2-[2-chloro-4-(methylsulfonyl)benzoyl]cyclohexane-1,3-dione
Manual XrefsDatabases
sulcotrioneAlan Wood's Pesticides
600PPDB
Registry NumbersSources
Reaxys:8155739Reaxys
CAS:99105-77-8ChemIDplus
Citations