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CHEBI:228779 - 5,5-dimethyl-2-[(trifluoromethyl)sulfanyl]-1,3-cyclohexanedione

ChEBI IDCHEBI:228779
ChEBI Name5,5-dimethyl-2-[(trifluoromethyl)sulfanyl]-1,3-cyclohexanedione
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC9H11F3O2S
Net Charge0
Average Mass240.246
Monoisotopic Mass240.04319
SMILESCC1(C)CC(=O)C(SC(F)(F)F)C(=O)C1
InChIInChI=1S/C9H11F3O2S/c1-8(2)3-5(13)7(6(14)4-8)15-9(10,11)12/h7H,3-4H2,1-2H3
InChIKeyYDOQORTWZHTGLJ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) urine (BTO:0001419) MetaboLights (MTBLS8662)
ChEBI Ontology
Outgoing Relation(s)
5,5-dimethyl-2-[(trifluoromethyl)sulfanyl]-1,3-cyclohexanedione (CHEBI:228779) is a β-diketone (CHEBI:67265)
IUPAC Name 
5,5-dimethyl-2-(triluoromethylsulanyl)cyclohexane-1,3-dione
Manual XrefsDatabases
524584ChemSpider