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

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	7-Isopropyl-5-methylbicyclo[2.2.2]oct-5-en-2-one

ChEBI ID	CHEBI:197219

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C12H18O

Net Charge

Average Mass

178.275

Monoisotopic Mass

178.13577

InChI

InChI=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

InChIKey

JGWYWWRNBCMLOE-UHFFFAOYSA-N

SMILES

O=C1C2C(CC(C1)C(=C2)C)C(C)C

Metabolite of Species	Details
Cannabis sativa (NCBI:txid3483)	Found in inflorescence (BTO:0000628). of strain Cannabis sativa var. DMG265 See: MetaboLights Study

ChEBI Ontology
Outgoing	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