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CHEBI:197219 - 7-Isopropyl-5-methylbicyclo[2.2.2]oct-5-en-2-one

ChEBI IDCHEBI:197219
ChEBI Name7-Isopropyl-5-methylbicyclo[2.2.2]oct-5-en-2-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H18O
Net Charge0
Average Mass178.275
Monoisotopic Mass178.13577
SMILESCC1=CC2C(=O)CC1CC2C(C)C
InChIInChI=1S/C12H18O/c1-7(2)10-5-9-6-12(13)11(10)4-8(9)3/h4,7,9-11H,5-6H2,1-3H3
InChIKeyJGWYWWRNBCMLOE-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Cannabis sativa (ncbitaxon:3483) inflorescence (BTO:0000628) MetaboLights (MTBLS6032) Strain: Cannabis sativa var. DMG265
ChEBI Ontology
Outgoing Relation(s)
7-Isopropyl-5-methylbicyclo[2.2.2]oct-5-en-2-one (CHEBI:197219) is a cyclohexenones (CHEBI:48953)
IUPAC Name 
5-methyl-7-propan-2-ylbicyclo[2.2.2]oct-5-en-2-one
Manual XrefsDatabases
HMDB0036681HMDB
35014198ChemSpider