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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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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