Alternarian acid (CHEBI:214769)

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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	Alternarian acid

ChEBI ID	CHEBI:214769

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C15H12O8

Net Charge

Average Mass

320.253

Monoisotopic Mass

320.05322

InChI

InChI=1S/C15H12O8/c1-6-3-10(13(17)18)23-15(21)11(6)8-4-7(22-2)5-9(16)12(8)14(19)20/h3-5,16H,1-2H3,(H,17,18)(H,19,20)

InChIKey

DTWGKAWUEOJXKI-UHFFFAOYSA-N

SMILES

O=C1OC(C(=O)O)=CC(=C1C2=C(C(O)=CC(=C2)OC)C(=O)O)C

Metabolite of Species	Details
Mycobacterium tuberculosis (NCBI:txid1773)	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	Alternarian acid (CHEBI:214769) is a methoxybenzoic acid (CHEBI:25238)

IUPAC Name

5-(2-carboxy-3-hydroxy-5-methoxyphenyl)-4-methyl-6-oxopyran-2-carboxylic acid