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

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4-hydroxy-3-methylbenzoic acid

	Properties	Image
MNX_ID	MNXM37493
reference	chebi:85239
formula	C₈H₈O₃
global charge	0
mol weight	152.149
InChIKey	LTFHNKUKQYVHDX-UHFFFAOYSA-N
InChI	InChI=1S/C8H8O3/c1-5-4-6(8(10)11)2-3-7(5)9/h2-4,9H,1H3,(H,10,11)
SMILES	CC1=CC(C(=O)O)=CC=C1O

MNX internals

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

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	4
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:85239 chebi:85239 LTFHNKUKQYVHDX-UHFFFAOYSA-N	4-hydroxy-3-methylbenzoic acid 4,3-Cresotic acid 4-Hydroxy-m-toluic acid
sabiork.compound:18786 sabiorkM:18786 LTFHNKUKQYVHDX-UHFFFAOYSA-N	3-Methyl-4-hydroxybenzoate
kegg.compound:C21167 keggC:C21167 LTFHNKUKQYVHDX-UHFFFAOYSA-N	4-Hydroxy-3-methylbenzoate 4-Hydroxy-m-toluate
hmdb:HMDB0004815 LTFHNKUKQYVHDX-UHFFFAOYSA-N	4-Hydroxy-3-methylbenzoic acid 3-Methyl-4-hydroxybenzoate 3-Methyl-4-hydroxybenzoic acid 4,3-Cresotate 4,3-Cresotic acid 4-Hydroxy-3-methoxybenzoic acid 4-Hydroxy-3-methyl-benzoate 4-Hydroxy-3-methyl-benzoic acid 4-Hydroxy-3-methylbenzoate 4-Hydroxy-m-toluate 4-Hydroxy-m-toluic acid 4-hydroxy-3-methylbenzoic acid Vanillic acid
metacyc.compound:CPD-18291 metacycM:CPD-18291 seed.compound:cpd33120 seedM:cpd33120 LTFHNKUKQYVHDX-UHFFFAOYSA-M	4-hydroxy-3-methylbenzoate 4-hydroxy-3-methylbenzoic acid
hmdb:HMDB04815 keggC:M_C21167 seedM:M_cpd33120	secondary/obsolete/fantasy identifier