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CHEBI:205730 - Pestalasin A

ChEBI IDCHEBI:205730
ChEBI NamePestalasin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H16O5
Net Charge0
Average Mass264.277
Monoisotopic Mass264.09977
SMILESCOc1cc(OC)c2oc(=O)c(C[C@H](C)O)cc2c1
InChIInChI=1S/C14H16O5/c1-8(15)4-10-5-9-6-11(17-2)7-12(18-3)13(9)19-14(10)16/h5-8,15H,4H2,1-3H3/t8-/m0/s1
InChIKeyPLDKULNDBSIKSW-QMMMGPOBSA-N
Species of MetaboliteComponentSourceComments
Pestalotiopsisspecies (ncbitaxon:36460) - PubMed (19762244)
ChEBI Ontology
Outgoing Relation(s)
Pestalasin A (CHEBI:205730) is a coumarins (CHEBI:23403)
IUPAC Name 
3-(2-hydroxypropyl)-6,8-dimethoxychromen-2-one
Manual XrefsDatabases
24648508ChemSpider