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

Feedback

3-hydroxy-4-methoxybenzoate

	Properties	Image
MNX_ID	MNXM6802
reference	chebi:63797
formula	C₈H₇O₄
global charge	-1
mol weight	167.14
InChIKey	LBKFGYZQBSGRHY-UHFFFAOYSA-M
InChI	InChI=1S/C8H8O4/c1-12-7-3-2-5(8(10)11)4-6(7)9/h2-4,9H,1H3,(H,10,11)/p-1
SMILES	COC1=CC=C(C(=O)[O-])C=C1O

MNX internals

InChI (mnx)	InChI=1/C8H8O4/c1-12-7-3-2-5(8(10)11)4-6(7)9/h2-4,9H,1H3,(H,10,11)
SMILES (mnx)	[CH3:1][O:12][C:7]1=[C:6]([OH:9])[CH:4]=[C:5]([C:8](=[O:10])[OH:11])[CH:2]=[CH:3]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
reactome:R-ALL-175978 reactomeM:R-ALL-175978 CHEBI:63797 chebi:63797 LBKFGYZQBSGRHY-UHFFFAOYSA-M	3-hydroxy-4-methoxybenzoate isovanillate
CHEBI:63798 chebi:63798 LBKFGYZQBSGRHY-UHFFFAOYSA-N	3-hydroxy-4-methoxybenzoic acid 3-Hydroxyanisic acid 3-hydroxy-p-anisic acid Acide isovanillique Isovanillic acid
sabiork.compound:27935 sabiorkM:27935 LBKFGYZQBSGRHY-UHFFFAOYSA-M	Isovanillic acid
hmdb:HMDB0060003 LBKFGYZQBSGRHY-UHFFFAOYSA-N	Isovanillic acid 3-Hydroxy-4-methoxybenzoate 3-Hydroxy-4-methoxybenzoic acid 3-Hydroxy-p-anisate 3-Hydroxy-p-anisic acid 3-Hydroxyanisate 3-Hydroxyanisic acid 3-hydroxy-4-methoxybenzoic acid Acide isovanillique Isovanillate isovanillic acid
hmdb:HMDB60003	secondary/obsolete/fantasy identifier