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

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Protocatechuic alcohol

	Properties	Image
MNX_ID	MNXM10202
reference	chebi:218733
formula	C₇H₈O₃
global charge	0
mol weight	140.138
InChIKey	PCYGLFXKCBFGPC-UHFFFAOYSA-N
InChI	InChI=1S/C7H8O3/c8-4-5-1-2-6(9)7(10)3-5/h1-3,8-10H,4H2
SMILES	OCC1=CC(O)=C(O)C=C1

MNX internals

InChI (mnx)	InChI=1/C7H8O3/c8-4-5-1-2-6(9)7(10)3-5/h1-3,8-10H,4H2
SMILES (mnx)	[CH:1]1=[CH:2][C:6]([OH:9])=[C:7]([OH:10])[CH:3]=[C:5]1[CH2:4][OH:8]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	1
in models (compartimentalized)	1

Similar chemical compounds in external resources
Identifier	Description
CHEBI:218733 chebi:218733 PCYGLFXKCBFGPC-UHFFFAOYSA-N	Protocatechuic alcohol 4-(hydroxymethyl)benzene-1,2-diol
envipath:...544eb6f1edcf envipathM:...544eb6f1edcf vmhM:4hmcachl vmhmetabolite:4hmcachl PCYGLFXKCBFGPC-UHFFFAOYSA-N	4-Hydroxymethylcatechol
seed.compound:cpd09813 seedM:cpd09813 kegg.compound:C14110 keggC:C14110 PCYGLFXKCBFGPC-UHFFFAOYSA-N	4-Hydroxymethylcatechol 3,4-Dihydroxybenzyl alcohol
CHEBI:20412 chebi:20412	4-hydroxymethylcatechol
envipath:...417395903da6 envipathM:...417395903da6 PCYGLFXKCBFGPC-UHFFFAOYSA-N	compound 0043987
chebi:34425 keggC:M_C14110 seedM:M_cpd09813 vmhM:M_4hmcachl	secondary/obsolete/fantasy identifier