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

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

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ChEBI ID	CHEBI:199002
ChEBI Name	2-formyl-3,5-dimethoxy-6-methylbenzoic acid
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C11H12O5
Net Charge	0
Average Mass	224.212
Monoisotopic Mass	224.06847
SMILES	COc1cc(OC)c(C=O)c(C(=O)O)c1C
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

Species of Metabolite	Component	Source	Comments
Talaromyces ruber (ncbitaxon:1266769)	-	DOI (10.1007/s10600-008-9094-z)

Roles Classification

Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base).

ChEBI Ontology

Outgoing Relation(s)
	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

Manual Xrefs	Databases
14039589	ChemSpider