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CHEBI:214511 - Pestaisocoumarin A

ChEBI IDCHEBI:214511
ChEBI NamePestaisocoumarin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H12O6
Net Charge0
Average Mass252.222
Monoisotopic Mass252.06339
SMILESCc1c(O)cc2c(CO)c(CO)oc(=O)c2c1O
InChIInChI=1S/C12H12O6/c1-5-8(15)2-6-7(3-13)9(4-14)18-12(17)10(6)11(5)16/h2,13-16H,3-4H2,1H3
InChIKeyWCFRNYPDRFPVDC-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Pestalotiopsis (ncbitaxon:37840) - DOI (10.1007/s10600-020-02960-0)
ChEBI Ontology
Outgoing Relation(s)
Pestaisocoumarin A (CHEBI:214511) is a isocoumarins (CHEBI:38758)
IUPAC Name 
6,8-dihydroxy-3,4-bis(hydroxymethyl)-7-methylisochromen-1-one