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CHEBI:217866 - 7-methyl-6-methoxy-3-oxo-1,3-dihydroisobenzofuran-4-carboxylic acid

ChEBI IDCHEBI:217866
ChEBI Name7-methyl-6-methoxy-3-oxo-1,3-dihydroisobenzofuran-4-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC11H10O5
Net Charge0
Average Mass222.196
Monoisotopic Mass222.05282
SMILESCOc1c(C)cc(C(=O)O)c2c1COC2=O
InChIInChI=1S/C11H10O5/c1-5-3-6(10(12)13)8-7(9(5)15-2)4-16-11(8)14/h3H,4H2,1-2H3,(H,12,13)
InChIKeyWJCVCLCNEGBFTH-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Phomopsisspecies A123 (ncbitaxon:559193) - PubMed (24821321)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
7-methyl-6-methoxy-3-oxo-1,3-dihydroisobenzofuran-4-carboxylic acid (CHEBI:217866) is a methoxybenzoic acid (CHEBI:25238)
IUPAC Name 
7-methoxy-6-methyl-3-oxo-1H-2-benzouran-4-carboxylic acid
Manual XrefsDatabases
32674642ChemSpider