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CHEBI:87546 - β-ionone 5,6-epoxide
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ChEBI Name
β-ionone 5,6-epoxide
ChEBI ID
CHEBI:87546
ChEBI ASCII Name
beta-ionone 5,6-epoxide
Definition
An apo carotenoid monoterpenoid that is β-ionone substituted by an epoxy group across positions 5 and 6.
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This entity has been manually annotated by the ChEBI Team.
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Formula
C13H20O2
Net Charge
0
Average Mass
208.29670
Monoisotopic Mass
208.14633
InChI
InChI=1S/C13H20O2/c1-10(14)6-9-13-11(2,3)7-5-8-12(13,4)15-13/h6,9H,5,7-8H2,1-4H3
InChIKey
ZTJZJYUGOJYHCU-UHFFFAOYSA-N
SMILES
CC(=O)C=CC12OC1(C)CCCC2(C)C
Roles Classification
Biological Role
(s):
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
β-ionone 5,6-epoxide (
CHEBI:87546
)
has functional parent
β-ionone (
CHEBI:32325
)
β-ionone 5,6-epoxide (
CHEBI:87546
)
has role
metabolite (
CHEBI:25212
)
β-ionone 5,6-epoxide (
CHEBI:87546
)
is a
apo carotenoid monoterpenoid (
CHEBI:49247
)
β-ionone 5,6-epoxide (
CHEBI:87546
)
is a
epoxide (
CHEBI:32955
)
IUPAC Name
4-(2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl)but-3-en-2-one
Synonym
Source
4-(1',2'-epoxy-2',6',6'-trimethyl-2'-cyclohex-1'-yl)-3-buten-2-one
ChEBI
Registry Numbers
Types
Sources
22025279
Reaxys Registry Number
Reaxys
23267-57-4
CAS Registry Number
NIST Chemistry WebBook
23267-57-4
CAS Registry Number
ChemIDplus
Last Modified
18 August 2015