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5-Carboxyvanillic acid

Properties

Image

Occurences in reactions

MNX_ID

MNXM6916

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

formula

C₉H₈O₆

charge

mass

212.03209

reference

InChIKey

NLSSJYQPZIQJNC-UHFFFAOYSA-N

InChI

InChI=1S/C9H8O6/c1-15-6-3-4(8(11)12)2-5(7(6)10)9(13)14/h2-3,10H,1H3,(H,11,12)(H,13,14)

SMILES

COc1cc(C(=O)O)cc(C(=O)O)c1O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:81684 chebi:81684 kegg.compound:C18338 keggC:C18338	5-Carboxyvanillic acid 4-Hydroxy-5-methoxy-1,3-benzenedicarboxylate 4-Hydroxy-5-methoxyisophthalate 5-Carboxyvanillate
seed.compound:cpd19603 seedM:cpd19603	5-Carboxyvanillic acid 4-Hydroxy-5-methoxy-1,3-benzenedicarboxylate 4-Hydroxy-5-methoxyisophthalate 5-Carboxyvanillate 5-carboxyvanillate
metacyc.compound:CPD-11853 metacycM:CPD-11853	5-carboxyvanillate
keggC:M_C18338 seedM:M_cpd19603	secondary/obsolete/fantasy identifier