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CHEBI:169732 - beta-Elemenone

ChEBI IDCHEBI:169732
ChEBI Namebeta-Elemenone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H22O
Net Charge0
Average Mass218.340
Monoisotopic Mass218.16707
SMILESC=C[C@]1(C)CC(=O)C(=C(C)C)C[C@H]1C(=C)C
InChIInChI=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
InChIKeyABLPGPHZENVRRH-DZGCQCFKSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
beta-Elemenone (CHEBI:169732) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(4S,5S)-5-ethenyl-5-methyl-2-propan-2-ylidene-4-prop-1-en-2-ylcyclohexan-1-one
Manual XrefsDatabases
9130235ChemSpider