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

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isovanillin

	Properties	Image
MNX_ID	MNXM58400
reference	chebi:193161
formula	C₈H₈O₃
global charge	0
mol weight	152.149
InChIKey	JVTZFYYHCGSXJV-UHFFFAOYSA-N
InChI	InChI=1S/C8H8O3/c1-11-8-3-2-6(5-9)4-7(8)10/h2-5,10H,1H3
SMILES	COC1=C(O)C=C(C=O)C=C1

MNX internals

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

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:193161 chebi:193161 JVTZFYYHCGSXJV-UHFFFAOYSA-N	isovanillin 3-hydroxy-4-methoxybenzaldehyde 3-hydroxy-p-anisaldehyde 3-hydroxy-para-anisaldehyde 5-formyl-2-methoxyphenol 5-formylguaiacol iso-vanillin isovanilline m-hydroxy-p-methoxybenzaldehyde
seed.compound:cpd25311 seedM:cpd25311 JVTZFYYHCGSXJV-UHFFFAOYSA-N	3-Hydroxy-4-methoxybenzaldehyde 3-Hydroxy-p-anisaldehyde Isovanilline isovanillin
sabiork.compound:25122 sabiorkM:25122 JVTZFYYHCGSXJV-UHFFFAOYSA-N	Isovanillaldehyde 3-Hydroxy-4-methoxybenzaldehyde
sabiork.compound:29929 sabiorkM:29929 JVTZFYYHCGSXJV-UHFFFAOYSA-N	Isovanillin
metacyc.compound:CPD-8489 metacycM:CPD-8489 JVTZFYYHCGSXJV-UHFFFAOYSA-N	isovanillin 3-Hydroxy-4-methoxybenzaldehyde 3-Hydroxy-p-anisaldehyde Isovanilline
seedM:M_cpd25311	secondary/obsolete/fantasy identifier