EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:216688 - Convolvulanic acid B

ChEBI IDCHEBI:216688
ChEBI NameConvolvulanic acid B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC11H10O5
Net Charge0
Average Mass222.196
Monoisotopic Mass222.05282
SMILESCOc1c(C)cc(C(=O)O)c2c1C(=O)OC2
InChIInChI=1S/C11H10O5/c1-5-3-6(10(12)13)7-4-16-11(14)8(7)9(5)15-2/h3H,4H2,1-2H3,(H,12,13)
InChIKeyLEHYHKDJJLQWJA-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Phomopsis (ncbitaxon:34399) - DOI (10.1139/v92-286)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Convolvulanic acid B (CHEBI:216688) is a 2-hydroxyisophthalic acid (CHEBI:19643)
IUPAC Name 
7-methoxy-6-methyl-1-oxo-3H-2-benzouran-4-carboxylic acid
Manual XrefsDatabases
2340762ChemSpider