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CHEBI:10284 - α-irone

ChEBI IDCHEBI:10284
ChEBI Nameα-irone
Stars
ASCII Namealpha-irone
DefinitionA methyl ketone that is α-ionone in which a hydrogen at position 5 of the cyclohex-2-en-1-yl ring is substituted by a methyl group.
Last Modified3 August 2014
DownloadsMolfile
FormulaC14H22O
Net Charge0
Average Mass206.329
Monoisotopic Mass206.16707
SMILESCC(=O)/C=C/C1C(C)=CCC(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+
InChIKeyJZQOJFLIJNRDHK-CMDGGOBGSA-N
ChEBI Ontology
Outgoing Relation(s)
α-irone (CHEBI:10284) has functional parent α-ionone (CHEBI:32319)
α-irone (CHEBI:10284) is a enone (CHEBI:51689)
α-irone (CHEBI:10284) is a methyl ketone (CHEBI:51867)
IUPAC Name 
(3E)-4-(2,5,6,6-tetramethylcyclohex-2-en-1-yl)but-3-en-2-one
Synonyms  Source
alpha-IroneKEGG COMPOUND
6-Methyl-alpha-iononeChemIDplus
Methyl alpha-iononeChemIDplus
Methyl-α-iononeNIST Chemistry WebBook
6-Methyl-α-iononeNIST Chemistry WebBook
α-IronChEBI
Manual XrefsDatabases
C09690KEGG COMPOUND
C00003153KNApSAcK
Registry NumbersSources
Reaxys:1343498Reaxys
CAS:79-69-6KEGG COMPOUND
CAS:79-69-6ChemIDplus
CAS:79-69-6NIST Chemistry WebBook
Citations