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CHEBI:228853 - Brevifolincarboxylic acid

ChEBI IDCHEBI:228853
ChEBI NameBrevifolincarboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H8O8
Net Charge0
Average Mass292.199
Monoisotopic Mass292.02192
SMILESO=C1CC(C(=O)O)c2c1oc(=O)c1cc(O)c(O)c(O)c21
InChIInChI=1S/C13H8O8/c14-5-2-4-7(10(17)9(5)16)8-3(12(18)19)1-6(15)11(8)21-13(4)20/h2-3,14,16-17H,1H2,(H,18,19)
InChIKeyJFJWMFPFMLRLMI-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Zea mays (ncbitaxon:4577) exometabolome MetaboLights (MTBLS8903)
ChEBI Ontology
Outgoing Relation(s)
Brevifolincarboxylic acid (CHEBI:228853) is a isocoumarins (CHEBI:38758)
IUPAC Name 
7,8,9-trihydroxy-3,5-dioxo-1,2-dihydrocyclopenta[c]isochromene-1-carboxylic acid
Manual XrefsDatabases
8014714ChemSpider
HMDB0303676HMDB