Epishyobunone (CHEBI:168444)

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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	Epishyobunone

ChEBI ID	CHEBI:168444

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C15H24O

Net Charge

Average Mass

220.356

Monoisotopic Mass

220.18272

InChI

InChI=1S/C15H24O/c1-7-15(6)9-8-12(10(2)3)14(16)13(15)11(4)5/h7,10,12-13H,1,4,8-9H2,2-3,5-6H3

InChIKey

GWHRSRIPLDHJHR-UHFFFAOYSA-N

SMILES

O=C1C(CCC(C1C(C)=C)(C)C=C)C(C)C

Metabolite of Species	Details
Malus domestica (NCBI:txid3750)	Found in exocarp (BTO:0000733). of strain Malus x domestica Borkh. cv. Ruixue See: MetaboLights Study

ChEBI Ontology
Outgoing	Epishyobunone (CHEBI:168444) is a sesquiterpenoid (CHEBI:26658)

IUPAC Name

3-ethenyl-3-methyl-6-propan-2-yl-2-prop-1-en-2-ylcyclohexan-1-one