MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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dihydrodehydro-beta-ionone

	Properties	Image
MNX_ID	MNXM117784
reference	chebi:88549
formula	C₁₃H₂₀O
global charge	0
mol weight	192.302
InChIKey	SQFRYZPEWOZAKJ-UHFFFAOYSA-N
InChI	InChI=1S/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h5-6H,7-9H2,1-4H3
SMILES	CC(=O)CCC1=C(C)C=CCC1(C)C

MNX internals

InChI (mnx)	InChI=1/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h5-6H,7-9H2,1-4H3
SMILES (mnx)	[CH3:1][C:10]1=[C:12]([CH2:8][CH2:7][C:11]([CH3:2])=[O:14])[C:13]([CH3:3])([CH3:4])[CH2:9][CH:5]=[CH:6]1

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	0
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:88549 chebi:88549 SQFRYZPEWOZAKJ-UHFFFAOYSA-N	dihydrodehydro-beta-ionone 3,4-didehydro-7,8-dihydro-beta-ionone 4-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)-2-butanone 4-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)butan-2-one 4-(2,6,6-trimethyl-1,3-cyclohexadienyl)-2-butanone 4-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)butan-2-one 4-(2,6,6-trimethylcyclohexa-1,3-dienyl)butan-2-one 7,8-dihydro-3,4-dehydro-beta-ionone FEMA 3447 dehydrodihydroionone
hmdb:HMDB0037139 SQFRYZPEWOZAKJ-UHFFFAOYSA-N	4-(2,6,6-Trimethyl-1,3-cyclohexadien-1-yl)-2-butanone 3,4-Didehydro-7,8-dihydro-b-ionone 3,4-Didehydro-7,8-dihydro-beta-ionone 4-(2,6,6-Trimethyl cyclohexa-1,3-dienyl) butane-2-one 4-(2,6,6-Trimethyl-1,3-cyclohexadien-1-yl)butan-2-one 4-(2,6,6-Trimethyl-1,3-cyclohexadienyl)-2-butanone 4-(2,6,6-Trimethylcyclohexa-1,3-dien-1-yl)butan-2-one 4-(2,6,6-Trimethylcyclohexa-1,3-dienyl)butan-2-one 4-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)butan-2-one 7,8-Dihydro-3,4-dehydro-b-ionone 7,8-Dihydro-3,4-dehydro-beta-ionone Dehydrodihydroionone FEMA 3447 dihydrodehydro-beta-Ionone
hmdb:HMDB37139	secondary/obsolete/fantasy identifier