4-hydroxy-2,3-dimethoxybenzoic acid (CHEBI:193996)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	4-hydroxy-2,3-dimethoxybenzoic acid

ChEBI ID	CHEBI:193996

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C9H10O5

Net Charge

Average Mass

198.174

Monoisotopic Mass

198.05282

InChI

InChI=1S/C9H10O5/c1-13-7-5(9(11)12)3-4-6(10)8(7)14-2/h3-4,10H,1-2H3,(H,11,12)

InChIKey

CHHQEMBTCQDAHF-UHFFFAOYSA-N

SMILES

O(C=1C(OC)=C(O)C=CC1C(O)=O)C

Metabolite of Species	Details
mock community culture	Found in Whole Organism (NCIT:C13413). See: MetaboLights Study

Roles Classification
Chemical Role(s):	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

ChEBI Ontology
Outgoing	4-hydroxy-2,3-dimethoxybenzoic acid (CHEBI:193996) is a methoxybenzoic acid (CHEBI:25238)

IUPAC Name

4-hydroxy-2,3-dimethoxybenzoic acid