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CHEBI:229362 - .alpha.-Irone

ChEBI IDCHEBI:229362
ChEBI Name.alpha.-Irone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H22O
Net Charge0
Average Mass206.329
Monoisotopic Mass206.16707
SMILESCC(=O)/C=C/[C@H]1C(C)=CC[C@@H](C)C1(C)C
InChIInChI=1S/C14H22O/c1-10-6-7-11(2)14(4,5)13(10)9-8-12(3)15/h6,8-9,11,13H,7H2,1-5H3/b9-8+/t11-,13+/m1/s1
InChIKeyJZQOJFLIJNRDHK-UZPJXDOOSA-N
Species of MetaboliteComponentSourceComments
Oryctolagus cuniculus (ncbitaxon:9986) longissimus thoracis (BTO:0001651) MetaboLights (MTBLS8958)
ChEBI Ontology
Outgoing Relation(s)
.alpha.-Irone (CHEBI:229362) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(E)-4-[(1S,5R)-2,5,6,6-tetramethylcyclohex-2-en-1-yl]but-3-en-2-one
Manual XrefsDatabases
4444854ChemSpider
C09690KEGG COMPOUND