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CHEBI:219958 - Pestalotiopsone B

ChEBI IDCHEBI:219958
ChEBI NamePestalotiopsone B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC20H26O5
Net Charge0
Average Mass346.423
Monoisotopic Mass346.17802
SMILESCCCCCCCc1cc(=O)c2c(CC(=O)OCC)cc(O)cc2o1
InChIInChI=1S/C20H26O5/c1-3-5-6-7-8-9-16-13-17(22)20-14(11-19(23)24-4-2)10-15(21)12-18(20)25-16/h10,12-13,21H,3-9,11H2,1-2H3
InChIKeyPTBADJJYGVHTHW-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Pestalotiopsisspecies (ncbitaxon:36460) - PubMed (19271764)
ChEBI Ontology
Outgoing Relation(s)
Pestalotiopsone B (CHEBI:219958) is a chromones (CHEBI:23238)
IUPAC Name 
ethyl 2-(2-heptyl-7-hydroxy-4-oxochromen-5-yl)acetate
Manual XrefsDatabases
24631030ChemSpider