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

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(4-hydroxy-3-methoxyphenyl)acetaldehyde

	Properties	Image
MNX_ID	MNXM4183
reference	chebi:28111
formula	C₉H₁₀O₃
global charge	0
mol weight	166.176
InChIKey	GOQGGGANVKPMNH-UHFFFAOYSA-N
InChI	InChI=1S/C9H10O3/c1-12-9-6-7(4-5-10)2-3-8(9)11/h2-3,5-6,11H,4H2,1H3
SMILES	COC1=CC(CC=O)=CC=C1O

MNX internals

InChI (mnx)	InChI=1/C9H10O3/c1-12-9-6-7(4-5-10)2-3-8(9)11/h2-3,5-6,11H,4H2,1H3
SMILES (mnx)	[CH3:1][O:12][C:9]1=[C:8]([OH:11])[CH:3]=[CH:2][C:7]([CH2:4][CH:5]=[O:10])=[CH:6]1

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	3
in models (compartimentalized)	4

Similar chemical compounds in external resources
Identifier	Description
CHEBI:28111 chebi:28111 GOQGGGANVKPMNH-UHFFFAOYSA-N	(4-hydroxy-3-methoxyphenyl)acetaldehyde (4-Hydroxy-3-methoxyphenyl)acetaldehyde 3-Methoxy-4-hydroxyphenylacetaldehyde 4-hydroxy-3-methoxybenzeneacetaldehyde HMPAL homovanillin
vmhM:3mox4hpac vmhmetabolite:3mox4hpac GOQGGGANVKPMNH-UHFFFAOYSA-N	(4-hydroxy-3-methoxyphenyl)acetaldehyde 2-(4-hydroxy-3-methoxyphenyl)acetaldehyde
bigg.metabolite:3mox4hpac biggM:3mox4hpac GOQGGGANVKPMNH-UHFFFAOYSA-N	3-Methoxy-4-hydroxyphenylacetaldehyde
seed.compound:cpd03311 seedM:cpd03311 kegg.compound:C05581 keggC:C05581 GOQGGGANVKPMNH-UHFFFAOYSA-N	3-Methoxy-4-hydroxyphenylacetaldehyde (4-Hydroxy-3-methoxyphenyl)acetaldehyde Homovanillin
hmdb:HMDB0005175 GOQGGGANVKPMNH-UHFFFAOYSA-N	Homovanillin (4-Hydroxy-3-methoxyphenyl)acetaldehyde 2-(4-Hydroxy-3-methoxyphenyl) ethanal 2-(4-hydroxy-3-methoxyphenyl)acetaldehyde 3-Methoxy-4-hydroxyphenylacetaldehyde 4-Hydroxy-3-methoxy-benzeneacetaldehyde 4-Hydroxy-3-methoxybenzeneacetaldehyde HMPAL homovanillin
envipath:...d6292d9b2c9d envipathM:...d6292d9b2c9d GOQGGGANVKPMNH-UHFFFAOYSA-N	compound 0283382
hmdb:HMDB05175 chebi:1574 chebi:20107 biggM:M_3mox4hpac keggC:M_C05581 seedM:M_cpd03311 vmhM:M_3mox4hpac	secondary/obsolete/fantasy identifier