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beta-ionone

PropertiesImage
MNX_IDMNXM5073 Image of MNXM5073
referencechebi:32325
formulaC13H20O
global charge0
mol weight192.302
InChIKeyPSQYTAPXSHCGMF-BQYQJAHWSA-N
InChIInChI=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+
SMILESCC(=O)/C=C/C1=C(C)CCCC1(C)C
MNX internals
InChI (mnx)InChI=1/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+ Image of MNXM5073
SMILES (mnx)[CH3:1][C:10]1=[C:12](/[CH:8]=[CH:7]/[C:11]([CH3:2])=[O:14])[C:13]([CH3:3])([CH3:4])[CH2:9][CH2:5][CH2:6]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)5
in models (compartimentalized) 3
Similar chemical compounds in external resources
IdentifierDescription

reactome:R-ALL-5164390
reactomeM:R-ALL-5164390
CHEBI:32325
chebi:32325
PSQYTAPXSHCGMF-BQYQJAHWSA-N 		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
PSQYTAPXSHCGMF-BQYQJAHWSA-N 		beta-Ionone
hmdb:HMDB0036565
PSQYTAPXSHCGMF-BQYQJAHWSA-N 		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
PSQYTAPXSHCGMF-BQYQJAHWSA-N 		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
PSQYTAPXSHCGMF-BQYQJAHWSA-N 		beta-Ionone
trans-beta-Ionone

SLM:000598039
slm:000598039
PSQYTAPXSHCGMF-BQYQJAHWSA-N 		beta-ionone

metacyc.compound:CPD-7204
metacycM:CPD-7204
PSQYTAPXSHCGMF-BQYQJAHWSA-N 		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