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CHEBI:224245 - Pestapyrone A

ChEBI IDCHEBI:224245
ChEBI NamePestapyrone A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC11H10O5
Net Charge0
Average Mass222.196
Monoisotopic Mass222.05282
SMILESCc1c(O)cc2cc(CO)oc(=O)c2c1O
InChIInChI=1S/C11H10O5/c1-5-8(13)3-6-2-7(4-12)16-11(15)9(6)10(5)14/h2-3,12-14H,4H2,1H3
InChIKeyMDKGQGKTEPRPMF-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Neopestalotiopsis clavispora (ncbitaxon:289240) - DOI (10.1016/j.tetlet.2016.03.101)
ChEBI Ontology
Outgoing Relation(s)
Pestapyrone A (CHEBI:224245) is a isocoumarins (CHEBI:38758)
IUPAC Name 
6,8-dihydroxy-3-(hydroxymethyl)-7-methylisochromen-1-one
Manual XrefsDatabases
58196700ChemSpider