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

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3,4-dihydroxybenzaldehyde

	Properties	Image
MNX_ID	MNXM2779
reference	chebi:50205
formula	C₇H₆O₃
global charge	0
mol weight	138.122
InChIKey	IBGBGRVKPALMCQ-UHFFFAOYSA-N
InChI	InChI=1S/C7H6O3/c8-4-5-1-2-6(9)7(10)3-5/h1-4,9-10H
SMILES	O=CC1=CC=C(O)C(O)=C1

MNX internals

InChI (mnx)	InChI=1/C7H6O3/c8-4-5-1-2-6(9)7(10)3-5/h1-4,9-10H
SMILES (mnx)	[CH:1]1=[CH:2][C:6]([OH:9])=[C:7]([OH:10])[CH:3]=[C:5]1[CH:4]=[O:8]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	21
in models (compartimentalized)	5

Similar chemical compounds in external resources
Identifier	Description
CHEBI:50205 chebi:50205 IBGBGRVKPALMCQ-UHFFFAOYSA-N	3,4-dihydroxybenzaldehyde 1,2-dihydroxy-4-formylbenzene 3,4-dihydroxybenzenecarbonal 4-formyl-1,2-benzenediol 4-formyl-1,2-dihydroxybenzene Protocatechualdehyde protocatechualdehyde protocatechuic aldehyde
hmdb:HMDB0059965 IBGBGRVKPALMCQ-UHFFFAOYSA-N	3,4-Dihydroxybenzaldehyde 1,2-Dihydroxy-4-formylbenzene 3,4-Dihydroxybenzenecarbonal 3,4-dihydroxybenzaldehyde 4-Formyl-1,2-benzenediol 4-Formyl-1,2-dihydroxybenzene Protocatechualdehyde Protocatechualdehyde, 3H-labeled Protocatechualdehyde, formyl-14C-labeled Protocatechuic aldehyde Rancinamycin IV
sabiork.compound:28635 sabiorkM:28635 kegg.compound:C16700 keggC:C16700 IBGBGRVKPALMCQ-UHFFFAOYSA-N	3,4-Dihydroxybenzaldehyde Protocatechualdehyde
bigg.metabolite:34dhbald biggM:34dhbald	3,4-dihydroxybenzaldehyde
metacyc.compound:CPD-7616 metacycM:CPD-7616 IBGBGRVKPALMCQ-UHFFFAOYSA-N	3,4-dihydroxybenzaldehyde 3,4-dihydroxybenzyl aldehyde protocatechualdehyde protocatechuic aldehyde rancinamycin IV
sabiork.compound:23378 sabiorkM:23378 IBGBGRVKPALMCQ-UHFFFAOYSA-N	4-Formylcatechol
seed.compound:cpd16507 seedM:cpd16507 IBGBGRVKPALMCQ-UHFFFAOYSA-N	Protocatechualdehyde 3,4-Dihydroxybenzaldehyde 3,4-dihydroxybenzaldehyde 3,4-dihydroxybenzyl aldehyde 34dhbald protocatechualdehyde protocatechuic aldehyde rancinamycin IV
envipath:...3a66412fa9b9 envipathM:...3a66412fa9b9 IBGBGRVKPALMCQ-UHFFFAOYSA-N	compound 0040367
hmdb:HMDB59965 biggM:M_34dhbald keggC:M_C16700 seedM:M_cpd16507	secondary/obsolete/fantasy identifier