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beta-ionone

Properties

Image

Occurences in reactions

MNX_ID

MNXM5073

	#reac
in my sandbox	0
in MNXref (generic)	5
in models (compartimentalized)	2

formula

C₁₃H₂₀O

charge

mass

192.15142

reference

InChIKey

PSQYTAPXSHCGMF-BQYQJAHWSA-N

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+

SMILES

CC(=O)/C=C/C1=C(C)CCCC1(C)C

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
reactome:R-ALL-5164390 reactomeM:R-ALL-5164390 CHEBI:32325 chebi:32325	beta-ionone (3E)-4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-one (E)-beta-Ionone beta-E-Ionone beta-Ionon beta-Ionone trans-beta-Ionone
sabiork.compound:14320 sabiorkM:14320	beta-Ionone
hmdb:HMDB0036565	beta-Ionone (3E)-4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-3-buten-2-one (3E)-4-(2,6,6-Trimethylcyclohex-1-en-1-yl)but-3-en-2-one (3E)-4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-one (e)-b-Ionone (e)-beta -Ionone (e)-beta-Ionone (e)-beta-ionone 4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-(e)-3-buten-2-one 4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-3-buten-2-one FEMA 2595 Ionone, beta [e]-4-[2,6,6-Trimethyl-1-cyclohexen-1-yl]-3-buten-2-one b-Ionon b-Ionone b-e-Ionone beta -e-Ionone beta-Ionon beta-Ionone, (trans)-isomer beta-e-Ionone beta-e-ionone beta-ionon beta-ionone trans-b-Ionone trans-beta -Ionone trans-beta-Ionone trans-beta-ionone
seed.compound:cpd09060 seedM:cpd09060	beta-Ionone (3E)-4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-one 9-apo-beta-caroten-9-one beta-ionone trans-beta-Ionone
kegg.compound:C12287 keggC:C12287	beta-Ionone trans-beta-Ionone
metacyc.compound:CPD-7204 metacycM:CPD-7204	beta-ionone (3E)-4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-one 9-apo-beta-caroten-9-one
hmdb:HMDB36565 keggC:M_C12287 seedM:M_cpd09060	secondary/obsolete/fantasy identifier