beta-ionone (CHEBI:32325)

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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.

Supplier Information

Download	Molfile XML SDF

Formula

C13H20O

Net Charge

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.

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) (3R)-hydroxy-β-ionone (CHEBI:53173) has functional parent β-ionone (CHEBI:32325) pseudoionone (CHEBI:67207) has functional parent β-ionone (CHEBI:32325)

IUPAC Name

(3E)-4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-one

Last Modified

23 October 2015