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CHEBI:217952 - Pestalasin B

ChEBI IDCHEBI:217952
ChEBI NamePestalasin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H16O6
Net Charge0
Average Mass280.276
Monoisotopic Mass280.09469
SMILESCOc1cc(OC)c2oc(=O)c(C(O)C(C)O)cc2c1
InChIInChI=1S/C14H16O6/c1-7(15)12(16)10-5-8-4-9(18-2)6-11(19-3)13(8)20-14(10)17/h4-7,12,15-16H,1-3H3
InChIKeyPXWYQHRGBXUBIF-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Pestalotiopsisspecies (ncbitaxon:36460) - PubMed (19762244)
ChEBI Ontology
Outgoing Relation(s)
Pestalasin B (CHEBI:217952) is a coumarins (CHEBI:23403)
IUPAC Name 
3-(1,2-dihydroxypropyl)-6,8-dimethoxychromen-2-one
Manual XrefsDatabases
24648354ChemSpider