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

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vanillin

	Properties	Image
MNX_ID	MNXM754
reference	chebi:18346
formula	C₈H₈O₃
global charge	0
mol weight	152.149
InChIKey	MWOOGOJBHIARFG-UHFFFAOYSA-N
InChI	InChI=1S/C8H8O3/c1-11-8-4-6(5-9)2-3-7(8)10/h2-5,10H,1H3
SMILES	COC1=CC(C=O)=CC=C1O

MNX internals

InChI (mnx)	InChI=1/C8H8O3/c1-11-8-4-6(5-9)2-3-7(8)10/h2-5,10H,1H3
SMILES (mnx)	[CH3:1][O:11][C:8]1=[C:7]([OH:10])[CH:3]=[CH:2][C:6]([CH:5]=[O:9])=[CH:4]1

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	31
in models (compartimentalized)	8

Similar chemical compounds in external resources
Identifier	Description
reactome:R-ALL-9737159 reactomeM:R-ALL-9737159 CHEBI:18346 chebi:18346 MWOOGOJBHIARFG-UHFFFAOYSA-N	vanillin 3-methoxy-4-hydroxybenzaldehyde 4-Hydroxy-3-methoxy-benzaldehyde 4-Hydroxy-3-methoxybenzaldehyde 4-formyl-2-methoxyphenol 4-hydroxy-3-methoxybenzaldehyde 4-hydroxy-m-anisaldehyde Vanillaldehyde Vanillin methylprotocatechuic aldehyde p-hydroxy-m-methoxybenzaldehyde p-vanillin vaniline vanillaldehyde vanillic aldehyde
sabiork.compound:5215 sabiorkM:5215 kegg.compound:C00755 keggC:C00755 MWOOGOJBHIARFG-UHFFFAOYSA-N	4-Hydroxy-3-methoxy-benzaldehyde 4-Hydroxy-3-methoxybenzaldehyde Vanillaldehyde Vanillin
bigg.metabolite:vanln biggM:vanln envipath:...895a304c4107 envipathM:...895a304c4107 MWOOGOJBHIARFG-UHFFFAOYSA-N	Vanillin
kegg.drug:D00091 keggD:D00091 MWOOGOJBHIARFG-UHFFFAOYSA-N	Vanillin (NF)
hmdb:HMDB0012308 MWOOGOJBHIARFG-UHFFFAOYSA-N	Vanillin 2-Methoxy-4-formylphenol 3-Methoxy-4-hydroxybenzaldehyde 4-Formyl-2-methoxyphenol 4-Hydroxy 3-methoxybenzaldehyde 4-Hydroxy-3-methoxy-benzaldehyde 4-Hydroxy-3-methoxy-benzaldehyde-5-chlorovanillin 4-Hydroxy-3-methoxy-benzyldehyde 4-Hydroxy-3-methoxybenzaldehyde 4-Hydroxy-3-methoxybenzaldehyde (acd/name 4.0) 4-Hydroxy-5-methoxybenzaldehyde 4-Hydroxy-m-anisaldehyde 4-hydroxy-3-methoxybenzaldehyde 5-Bromovanillin 5-Chlorovanillin Lioxin Methyl-protocatechualdehyde Methylprotcatechuic aldehyde Methylprotocatechuic aldehyde Oleoresin vanilla Propenylguaethol Protocatechualdehyde 3-methyl ether Vanilin Vaniline Vanilla Vanilla oleoresin Vanillaldehyde Vanillic aldehyde Vanillin (3-methoxy-4-hydroxy- benzaldehyde) Vanillin (NF) Vanillin (natural) Vanillin sodium salt Vanillin, sodium salt Vanilline Vanillum Zimco m-Methoxy-p-hydroxybenzaldehyde oleo-Resins vanilla oleo-Resins vanilla-bean p-Hydroxy-m-methoxybenzaldehyde p-Vanillin trans-2-Ethoxy-5-(1-propenyl)phenol vanillin
seed.compound:cpd00561 seedM:cpd00561 MWOOGOJBHIARFG-UHFFFAOYSA-N	Vanillin 4-Hydroxy-3-methoxy-benzaldehyde 4-Hydroxy-3-methoxybenzaldehyde 4-hydroxy-3-methoxybenzaldehyde Vanillaldehyde vanillin vanln
envipath:...1fd389e98803 envipathM:...1fd389e98803 MWOOGOJBHIARFG-UHFFFAOYSA-N	compound 0046431
metacyc.compound:VANILLIN metacycM:VANILLIN MWOOGOJBHIARFG-UHFFFAOYSA-N	vanillin 4-hydroxy-3-methoxybenzaldehyde
hmdb:HMDB12308 chebi:15302 chebi:1842 chebi:20380 chebi:48387 biggM:M_vanln keggC:M_C00755 keggD:M_D00091 seedM:M_cpd00561	secondary/obsolete/fantasy identifier