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CHEBI:169755 - beta-Ionyl acetate

ChEBI IDCHEBI:169755
ChEBI Namebeta-Ionyl acetate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H24O2
Net Charge0
Average Mass236.355
Monoisotopic Mass236.17763
SMILESCC(=O)OC(C)/C=C/C1=C(C)CCCC1(C)C
InChIInChI=1S/C15H24O2/c1-11-7-6-10-15(4,5)14(11)9-8-12(2)17-13(3)16/h8-9,12H,6-7,10H2,1-5H3/b9-8+
InChIKeyWODKSVNXBYBTQC-CMDGGOBGSA-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-Ionyl acetate (CHEBI:169755) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
[(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-yl] acetate
Manual XrefsDatabases
HMDB0038027HMDB
4705180ChemSpider
Registry NumbersSources
CAS:53319-91-8ChemIDplus