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5-Carboxyvanillic acid

PropertiesImage
MNX_IDMNXM6916 Image of MNXM6916
referencechebi:81684
formulaC9H8O6
global charge0
mol weight212.157
InChIKeyNLSSJYQPZIQJNC-UHFFFAOYSA-N
InChIInChI=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)
SMILESCOC1=C(O)C(C(=O)O)=CC(C(=O)O)=C1
MNX internals
InChI (mnx)InChI=1/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) Image of MNXM6916
SMILES (mnx)[CH3:1][O:15][C:6]1=[CH:3][C:4]([C:8](=[O:11])[OH:12])=[CH:2][C:5]([C:9](=[O:13])[OH:14])=[C:7]1[OH:10]
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
IdentifierDescription

CHEBI:81684
chebi:81684
kegg.compound:C18338
keggC:C18338
NLSSJYQPZIQJNC-UHFFFAOYSA-N 		5-Carboxyvanillic acid
4-Hydroxy-5-methoxy-1,3-benzenedicarboxylate
4-Hydroxy-5-methoxyisophthalate
5-Carboxyvanillate

seed.compound:cpd19603
seedM:cpd19603
NLSSJYQPZIQJNC-UHFFFAOYSA-L 		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
NLSSJYQPZIQJNC-UHFFFAOYSA-L 		5-carboxyvanillate

keggC:M_C18338
seedM:M_cpd19603 		secondary/obsolete/fantasy identifier