4-(1-methylethyl)-2-Cyclohexen-1-one (CHEBI:229380)

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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	4-(1-methylethyl)-2-Cyclohexen-1-one

ChEBI ID	CHEBI:229380

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C9H14O

Net Charge

Average Mass

138.210

Monoisotopic Mass

138.10447

InChI

InChI=1S/C9H14O/c1-7(2)8-3-5-9(10)6-4-8/h3,5,7-8H,4,6H2,1-2H3

InChIKey

AANMVENRNJYEMK-UHFFFAOYSA-N

SMILES

O=C1CCC(C(C)C)C=C1

Metabolite of Species	Details
Oryctolagus cuniculus (NCBI:txid9986)	Found in longissimus thoracis (BTO:0001651). See: MetaboLights Study

ChEBI Ontology
Outgoing	4-(1-methylethyl)-2-Cyclohexen-1-one (CHEBI:229380) is a cyclohexenones (CHEBI:48953)

IUPAC Name

4-propan-2-ylcyclohex-2-en-1-one