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CHEBI:214769 - Alternarian acid

ChEBI IDCHEBI:214769
ChEBI NameAlternarian acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H12O8
Net Charge0
Average Mass320.253
Monoisotopic Mass320.05322
SMILESCOc1cc(O)c(C(=O)O)c(-c2c(C)cc(C(=O)O)oc2=O)c1
InChIInChI=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)
InChIKeyDTWGKAWUEOJXKI-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mycobacterium tuberculosis (ncbitaxon:1773) - DOI (10.1016/s0040-4020(01)83496-7)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
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
Manual XrefsDatabases
22369675ChemSpider