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CHEBI:220140 - Pestalasin C

ChEBI IDCHEBI:220140
ChEBI NamePestalasin C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC14H16O6
Net Charge0
Average Mass280.276
Monoisotopic Mass280.09469
SMILESCOc1cc(OC)c2oc(=O)c(C[C@H](O)CO)cc2c1
InChIInChI=1S/C14H16O6/c1-18-11-5-8-3-9(4-10(16)7-15)14(17)20-13(8)12(6-11)19-2/h3,5-6,10,15-16H,4,7H2,1-2H3/t10-/m0/s1
InChIKeyRPZDSVSPOBWCOC-JTQLQIEISA-N
Species of MetaboliteComponentSourceComments
Pestalotiopsisspecies (ncbitaxon:36460) - PubMed (19762244)
ChEBI Ontology
Outgoing Relation(s)
Pestalasin C (CHEBI:220140) is a coumarins (CHEBI:23403)
IUPAC Name 
3-(2,3-dihydroxypropyl)-6,8-dimethoxychromen-2-one
Manual XrefsDatabases
24657790ChemSpider