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

Feedback

3,4-dimethoxybenzaldehyde

	Properties	Image
MNX_ID	MNXM2607
reference	chebi:17098
formula	C₉H₁₀O₃
global charge	0
mol weight	166.176
InChIKey	WJUFSDZVCOTFON-UHFFFAOYSA-N
InChI	InChI=1S/C9H10O3/c1-11-8-4-3-7(6-10)5-9(8)12-2/h3-6H,1-2H3
SMILES	COC1=C(OC)C=C(C=O)C=C1

MNX internals

InChI (mnx)	InChI=1/C9H10O3/c1-11-8-4-3-7(6-10)5-9(8)12-2/h3-6H,1-2H3
SMILES (mnx)	[CH3:1][O:11][C:8]1=[C:9]([O:12][CH3:2])[CH:5]=[C:7]([CH:6]=[O:10])[CH:3]=[CH:4]1

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	19
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:17098 chebi:17098 WJUFSDZVCOTFON-UHFFFAOYSA-N	3,4-dimethoxybenzaldehyde 3,4-Dimethoxybenzaldehyde Veratraldehyde Veratric aldehyde veratraldehyde
hmdb:HMDB0032138 WJUFSDZVCOTFON-UHFFFAOYSA-N	3,4-Dimethoxybenzaldehyde 3, 4-Dimethoxybenzaldehyde 3,4-DIMETHOXY-benzaldehyde 3,4-Dimethoxybenzenecarbonal 3,4-dimethoxybenzaldehyde 4-O-Methylvanillin Benzaldehyde, 3,4-dimethoxy-veratraldehyde FEMA 3109 Methylvanillin P-Veratric aldehyde Protocatechualdehyde dimethyl ether Protocatechuecaldehyde dimethyl ether Protocatechuic aldehyde dimethyl ether Vanillin methyl ether Veratral Veratraldehyde Veratric aldehyde Veratrum aldehyde Veratrumaldehyde Veratryl aldehyde veratraldehyde
seed.compound:cpd01483 seedM:cpd01483 WJUFSDZVCOTFON-UHFFFAOYSA-N	Veratraldehyde 3,4-Dimethoxybenzaldehyde 3,4-dimethoxybenzaldehyde Veratric aldehyde veratraldehyde
sabiork.compound:6065 sabiorkM:6065 kegg.compound:C02201 keggC:C02201 WJUFSDZVCOTFON-UHFFFAOYSA-N	Veratraldehyde 3,4-Dimethoxybenzaldehyde Veratric aldehyde
metacyc.compound:VERATRALDEHYDE metacycM:VERATRALDEHYDE WJUFSDZVCOTFON-UHFFFAOYSA-N	veratraldehyde 3,4-dimethoxybenzaldehyde
hmdb:HMDB32138 chebi:15306 chebi:27280 chebi:9950 keggC:M_C02201 seedM:M_cpd01483	secondary/obsolete/fantasy identifier