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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
CHEBI:32325 - β-ionone
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ChEBI Ontology
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ChEBI Name
β-ionone
ChEBI ID
CHEBI:32325
ChEBI ASCII Name
beta-ionone
Definition
An ionone that is but-3-en-2-one substituted by a 2,6,6-trimethylcyclohex-1-en-1-yl group at position 4.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C13H20O
Net Charge
0
Average Mass
192.29730
Monoisotopic Mass
192.15142
InChI
InChI=1S/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h7-8H,5-6,9H2,1-4H3/b8-7+
InChIKey
PSQYTAPXSHCGMF-BQYQJAHWSA-N
SMILES
CC(=O)\C=C\C1=C(C)CCCC1(C)C
Roles Classification
Chemical Role
(s):
antioxidant
A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides.
Biological Role
(s):
volatile oil component
Any plant metabolite that is found naturally as a component of a volatile oil.
(via
ionone
)
plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
(via
ionone
)
Application
(s):
fragrance
A substance, extract, or preparation for diffusing or imparting an agreeable or attractive smell.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
β-ionone (
CHEBI:32325
)
has role
antioxidant (
CHEBI:22586
)
β-ionone (
CHEBI:32325
)
has role
fragrance (
CHEBI:48318
)
β-ionone (
CHEBI:32325
)
is a
ionone (
CHEBI:49248
)
Incoming
β-ionone 5,6-epoxide (
CHEBI:87546
)
has functional parent
β-ionone (
CHEBI:32325
)
(3
R
)-hydroxy-β-ionone (
CHEBI:53173
)
has functional parent
β-ionone (
CHEBI:32325
)
pseudoionone (
CHEBI:67207
)
has functional parent
β-ionone (
CHEBI:32325
)
IUPAC Name
(3
E
)-4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-one
Synonyms
Sources
(E)-β-Ionone
NIST Chemistry WebBook
(E)-beta-Ionone
ChemIDplus
β-E-Ionone
NIST Chemistry WebBook
β-Ionon
ChEBI
β-ionone
UniProt
beta-Ionone
KEGG COMPOUND
trans-β-Ionone
NIST Chemistry WebBook
trans-beta-Ionone
ChemIDplus
Manual Xrefs
Databases
C00029816
KNApSAcK
C12287
KEGG COMPOUND
CPD-7204
MetaCyc
HMDB0036565
HMDB
View more database links
Registry Numbers
Types
Sources
1909545
Beilstein Registry Number
Beilstein
1909545
Reaxys Registry Number
Reaxys
79-77-6
CAS Registry Number
ChemIDplus
79-77-6
CAS Registry Number
NIST Chemistry WebBook
Citations
Types
Sources
12565197
PubMed citation
Europe PMC
12719936
PubMed citation
Europe PMC
18031901
PubMed citation
Europe PMC
22187222
PubMed citation
Europe PMC
23413580
PubMed citation
Europe PMC
Last Modified
23 October 2015