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CHEBI:208888 - Pestalotiopsone H

Default Structure
ChEBI IDCHEBI:208888
ChEBI NamePestalotiopsone H
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H22O5
Net Charge0
Average Mass318.369
Monoisotopic Mass318.14672
SMILESCCCCCc1cc(=O)c2c(CC(=O)OCC)cc(O)cc2o1
InChIInChI=1S/C18H22O5/c1-3-5-6-7-14-11-15(20)18-12(9-17(21)22-4-2)8-13(19)10-16(18)23-14/h8,10-11,19H,3-7,9H2,1-2H3
InChIKeyCZCUCCFARHTVGL-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Diaporthe (ncbitaxon:36922) - PubMed (30050898)
ChEBI Ontology
Outgoing Relation(s)
Pestalotiopsone H (CHEBI:208888) is a chromones (CHEBI:23238)
IUPAC Name 
ethyl 2-(7-hydroxy-4-oxo-2-pentylchromen-5-yl)acetate
Manual XrefsDatabases
71048503ChemSpider