2-formyl-3,5-dimethoxy-6-methylbenzoic acid (CHEBI:199002)

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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	2-formyl-3,5-dimethoxy-6-methylbenzoic acid

ChEBI ID	CHEBI:199002

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C11H12O5

Net Charge

Average Mass

224.212

Monoisotopic Mass

224.06847

InChI

InChI=1S/C11H12O5/c1-6-8(15-2)4-9(16-3)7(5-12)10(6)11(13)14/h4-5H,1-3H3,(H,13,14)

InChIKey

CMGMFEHGLURORF-UHFFFAOYSA-N

SMILES

O=C(O)C1=C(C(OC)=CC(=C1C)OC)C=O

Metabolite of Species	Details
Talaromyces ruber (NCBI:txid1266769)	See: DOI

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	2-formyl-3,5-dimethoxy-6-methylbenzoic acid (CHEBI:199002) is a methoxybenzoic acid (CHEBI:25238)

IUPAC Name

2-ormyl-3,5-dimethoxy-6-methylbenzoic acid