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CHEBI:223596 - Pestalotiorin

ChEBI IDCHEBI:223596
ChEBI NamePestalotiorin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H16O5
Net Charge0
Average Mass264.277
Monoisotopic Mass264.09977
SMILESCOc1c(C)c(O)cc2cc(C[C@H](C)O)oc(=O)c12
InChIInChI=1S/C14H16O5/c1-7(15)4-10-5-9-6-11(16)8(2)13(18-3)12(9)14(17)19-10/h5-7,15-16H,4H2,1-3H3/t7-/m0/s1
InChIKeySJRQZWQQJLIKQI-ZETCQYMHSA-N
Species of MetaboliteComponentSourceComments
Pestalotiopsis (ncbitaxon:37840) - DOI (10.1016/j.tet.2014.12.009)
ChEBI Ontology
Outgoing Relation(s)
Pestalotiorin (CHEBI:223596) is a isocoumarins (CHEBI:38758)
IUPAC Name 
6-hydroxy-3-[(2S)-2-hydroxypropyl]-8-methoxy-7-methylisochromen-1-one
Manual XrefsDatabases
35516795ChemSpider