3-(2-Methylpropylidene)-3alpha,4-dihydro-1(3H)-isobenzofuranone (CHEBI:197266)

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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	3-(2-Methylpropylidene)-3alpha,4-dihydro-1(3H)-isobenzofuranone

ChEBI ID	CHEBI:197266

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C12H14O2

Net Charge

Average Mass

190.242

Monoisotopic Mass

190.09938

InChI

InChI=1S/C12H14O2/c1-8(2)7-11-9-5-3-4-6-10(9)12(13)14-11/h3-4,6-9H,5H2,1-2H3/b11-7+

InChIKey

IVZVUDRUEPCTTL-YRNVUSSQSA-N

SMILES

O1/C(/C2CC=CC=C2C1=O)=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	3-(2-Methylpropylidene)-3alpha,4-dihydro-1(3H)-isobenzofuranone (CHEBI:197266) is a 2-benzofurans (CHEBI:38831)

IUPAC Name

(3E)-3-(2-methylpropylidene)-3a,4-dihydro-2-benzouran-1-one