cis-beta-Elemenone (CHEBI:167352)

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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	cis-beta-Elemenone

ChEBI ID	CHEBI:167352

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C15H22O

Net Charge

Average Mass

218.340

Monoisotopic Mass

218.16707

InChI

InChI=1S/C15H22O/c1-7-15(6)9-14(16)12(10(2)3)8-13(15)11(4)5/h7,13H,1,4,8-9H2,2-3,5-6H3/t13-,15-/m0/s1

InChIKey

ABLPGPHZENVRRH-ZFWWWQNUSA-N

SMILES

O=C1C[C@]([C@@H](CC1=C(C)C)C(C)=C)(C)C=C

ChEBI Ontology
Outgoing	cis-beta-Elemenone (CHEBI:167352) is a sesquiterpenoid (CHEBI:26658)

IUPAC Name

(4S,5R)-5-ethenyl-5-methyl-2-propan-2-ylidene-4-prop-1-en-2-ylcyclohexan-1-one