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CHEBI:87546 - β-ionone 5,6-epoxide

ChEBI IDCHEBI:87546
ChEBI Nameβ-ionone 5,6-epoxide
Stars
ASCII Namebeta-ionone 5,6-epoxide
DefinitionAn apo carotenoid monoterpenoid that is β-ionone substituted by an epoxy group across positions 5 and 6.
Last Modified18 August 2015
Submitternamrata
DownloadsMolfile
FormulaC13H20O2
Net Charge0
Average Mass208.301
Monoisotopic Mass208.14633
SMILES[H]C(=CC12OC1(C)CCCC2(C)C)C(C)=O
InChIInChI=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
InChIKeyZTJZJYUGOJYHCU-UHFFFAOYSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
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-oneChEBI
Registry NumbersSources
Reaxys:22025279Reaxys
CAS:23267-57-4ChemIDplus
CAS:23267-57-4NIST Chemistry WebBook