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4-hydroxy-3-methoxybenzoate

Properties

Image

Occurences in reactions

MNX_ID

MNXM982

	#reac
in my sandbox	0
in MNXref (generic)	25
in models (compartimentalized)	8

formula

C₈H₇O₄

charge

-1

mass

167.03498

reference

chebi:16632

InChIKey

WKOLLVMJNQIZCI-UHFFFAOYSA-M

InChI

InChI=1S/C8H8O4/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4,9H,1H3,(H,10,11)/p-1

SMILES

COc1cc(C(=O)[O-])ccc1O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:16632 chebi:16632	4-hydroxy-3-methoxybenzoate 4-HYDROXY-3-METHOXYBENZOATE vanillate
bigg.metabolite:vanlt biggM:vanlt envipath:...302e0e0e0933 envipathM:...302e0e0e0933	Vanillate
sabiork.compound:8830 sabiorkM:8830	Vanillate 4-Hydroxy-3-methoxybenzoate 4-Hydroxy-3-methoxybenzoic acid
seed.compound:cpd04073 seedM:cpd04073	Vanillate 4-Hydroxy-3-methoxybenzoate 4-Hydroxy-3-methoxybenzoic acid 4-hydroxy-3-methoxybenzoate 4-hydroxy-3-methoxybenzoic acid Vanillic acid vanillate vanillic acid vanlt
kegg.compound:C06672 keggC:C06672	Vanillate 4-Hydroxy-3-methoxybenzoate 4-Hydroxy-3-methoxybenzoic acid Vanillic acid
hmdb:HMDB0000484	Vanillic acid 3-Methoxy-4-hydroxybenzoate 3-Methoxy-4-hydroxybenzoic acid 4 Hydroxy 3 methoxybenzoic acid 4-Hydroxy-3-methoxy-benzoate 4-Hydroxy-3-methoxy-benzoic acid 4-Hydroxy-3-methoxybenzoate 4-Hydroxy-3-methoxybenzoic acid 4-Hydroxy-m-anisate 4-Hydroxy-m-anisic acid 4-hydroxy-3-methoxybenzoic acid Acid, 4-hydroxy-3-methoxybenzoic Acid, p-hydroxy-m-methoxy-benzoic Acid, vanillic Acide vanillique Protocatechuic acid 3-methyl ester Vanillate p Hydroxy m methoxy benzoic acid p-Hydroxy-m-methoxy-benzoic acid p-Vanillate p-Vanillic acid vanillic acid
envipath:...6b5e55b4a6e3 envipathM:...6b5e55b4a6e3	compound 0046432
metacyc.compound:VANILLATE metacycM:VANILLATE	vanillate 4-hydroxy-3-methoxybenzoate 4-hydroxy-3-methoxybenzoic acid vanillic acid
CHEBI:30816 chebi:30816	vanillic acid 4-Hydroxy-3-methoxybenzoic acid 4-hydroxy-3-methoxybenzoic acid Vanillic acid
hmdb:HMDB00484 chebi:15301 chebi:27277 chebi:27278 chebi:46315 chebi:9933 biggM:M_vanlt keggC:M_C06672 seedM:M_cpd04073	secondary/obsolete/fantasy identifier