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

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raspberry ketone

	Properties	Image
MNX_ID	MNXM21486
reference	chebi:68656
formula	C₁₀H₁₂O₂
global charge	0
mol weight	164.204
InChIKey	NJGBTKGETPDVIK-UHFFFAOYSA-N
InChI	InChI=1S/C10H12O2/c1-8(11)2-3-9-4-6-10(12)7-5-9/h4-7,12H,2-3H2,1H3
SMILES	CC(=O)CCC1=CC=C(O)C=C1

MNX internals

InChI (mnx)	InChI=1/C10H12O2/c1-8(11)2-3-9-4-6-10(12)7-5-9/h4-7,12H,2-3H2,1H3
SMILES (mnx)	[CH3:1][C:8]([CH2:2][CH2:3][C:9]1=[CH:5][CH:7]=[C:10]([OH:12])[CH:6]=[CH:4]1)=[O:11]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	1
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:68656 chebi:68656 NJGBTKGETPDVIK-UHFFFAOYSA-N	raspberry ketone (p-Hydroxybenzyl)acetone 1-(4-Hydroxyphenyl)-3-butanone 1-(p-Hydroxyphenyl)-3-butanone 4-(3-Oxobutyl)phenol 4-(4-Hydroxyphenyl)-2-butanone 4-(4-hydroxyphenyl)butan-2-one 4-(p-Hydroxyphenyl)-2-butanone 4-Hydroxybenzylacetone p-Hydroxybenzyl acetone p-hydroxyphenylbutan-2-one
hmdb:HMDB0033723 NJGBTKGETPDVIK-UHFFFAOYSA-N	4-(4-Hydroxyphenyl)-2-butanone (p-Hydroxybenzyl)acetone 1-(4-Hydroxyphenyl)-3-butanone 1-(p-Hydroxyphenyl)-3-butanone 4-(3-Oxobutyl)phenol 4-(4-Hydroxyphenyl)butan-2-one 4-(4-hydroxyphenyl)butan-2-one 4-(p-Hydroxyphenyl)-2-butanone 4-Hydroxybenzylacetone Betuligenol FEMA 2588 Frambinone Oxyphenalon P-Hydroxyphenylbutanone Rasberry ketone Rasketone Raspberry ketone Rheosmin Rheosmine p-Hydroxybenzyl acetone p-Hydroxybenzylacetone p-Hydroxyphenylbutan-2-one raspberry ketone
metacyc.compound:CPD-8647 metacycM:CPD-8647 NJGBTKGETPDVIK-UHFFFAOYSA-N	4-hydroxyphenylbutan-2-one betuligenol p-hydroxyphenylbutan-2-one rasberry ketone
seed.compound:cpd37286 seedM:cpd37286 NJGBTKGETPDVIK-UHFFFAOYSA-N	4-hydroxyphenylbutan-2-one p-hydroxyphenylbutan-2-one rasberry ketone
hmdb:HMDB33723 seedM:M_cpd37286	secondary/obsolete/fantasy identifier