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CHEBI:177378 - 3-oxo-alpha-ionol

ChEBI IDCHEBI:177378
ChEBI Name3-oxo-alpha-ionol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H20O2
Net Charge0
Average Mass208.301
Monoisotopic Mass208.14633
SMILESCC1=CC(=O)CC(C)(C)C1/C=C/C(C)O
InChIInChI=1S/C13H20O2/c1-9-7-11(15)8-13(3,4)12(9)6-5-10(2)14/h5-7,10,12,14H,8H2,1-4H3/b6-5+
InChIKeyMDCGEAGEQVMWPE-AATRIKPKSA-N
Species of MetaboliteComponentSourceComments
Vitis vinifera (ncbitaxon:29760) Wine (NCIT:C66822) MetaboLights (MTBLS2330)
ChEBI Ontology
Outgoing Relation(s)
3-oxo-alpha-ionol (CHEBI:177378) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
4-[(E)-3-hydroxybut-1-enyl]-3,5,5-trimethylcyclohex-2-en-1-one
Manual XrefsDatabases
4520951ChemSpider