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CHEBI:207857 - Pestalasin D

Default Structure
ChEBI IDCHEBI:207857
ChEBI NamePestalasin D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H14O6
Net Charge0
Average Mass266.249
Monoisotopic Mass266.07904
SMILESCOc1cc(O)c2oc(=O)c(C[C@H](O)CO)cc2c1
InChIInChI=1S/C13H14O6/c1-18-10-4-7-2-8(3-9(15)6-14)13(17)19-12(7)11(16)5-10/h2,4-5,9,14-16H,3,6H2,1H3/t9-/m0/s1
InChIKeyNPABHULWNOHBRC-VIFPVBQESA-N
Species of MetaboliteComponentSourceComments
Pestalotiopsisspecies (ncbitaxon:36460) - PubMed (19762244)
ChEBI Ontology
Outgoing Relation(s)
Pestalasin D (CHEBI:207857) is a hydroxycoumarin (CHEBI:37912)
IUPAC Name 
3-(2,3-dihydroxypropyl)-8-hydroxy-6-methoxychromen-2-one
Manual XrefsDatabases
24648290ChemSpider