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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
CHEBI:10284 - α-irone
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ChEBI Name
α-irone
ChEBI ID
CHEBI:10284
ChEBI ASCII Name
alpha-irone
Definition
A 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.
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This entity has been manually annotated by the ChEBI Team.
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Formula
C14H22O
Net Charge
0
Average Mass
206.32390
Monoisotopic Mass
206.16707
InChI
InChI=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+
InChIKey
JZQOJFLIJNRDHK-CMDGGOBGSA-N
SMILES
CC1CC=C(C)C(\C=C\C(C)=O)C1(C)C
ChEBI Ontology
Outgoing
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
(3
E
)-4-(2,5,6,6-tetramethylcyclohex-2-en-1-yl)but-3-en-2-one
Synonyms
Sources
6-Methyl-α-ionone
NIST Chemistry WebBook
6-Methyl-alpha-ionone
ChemIDplus
α-Iron
ChEBI
alpha-Irone
KEGG COMPOUND
Methyl alpha-ionone
ChemIDplus
Methyl-α-ionone
NIST Chemistry WebBook
Manual Xrefs
Databases
C00003153
KNApSAcK
C09690
KEGG COMPOUND
View more database links
Registry Numbers
Types
Sources
1343498
Reaxys Registry Number
Reaxys
1343498
Beilstein Registry Number
Beilstein
79-69-6
CAS Registry Number
ChemIDplus
79-69-6
CAS Registry Number
NIST Chemistry WebBook
Citation
Type
Source
18031907
PubMed citation
Europe PMC
Last Modified
04 August 2014