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CHEBI:216774 - Pestalotiopsone A

ChEBI IDCHEBI:216774
ChEBI NamePestalotiopsone A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC19H24O5
Net Charge0
Average Mass332.396
Monoisotopic Mass332.16237
SMILESCCCCCCCc1cc(=O)c2c(CC(=O)OC)cc(O)cc2o1
InChIInChI=1S/C19H24O5/c1-3-4-5-6-7-8-15-12-16(21)19-13(10-18(22)23-2)9-14(20)11-17(19)24-15/h9,11-12,20H,3-8,10H2,1-2H3
InChIKeyPKXMVCSDLAZFFO-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Pestalotiopsisspecies (ncbitaxon:36460) - PubMed (19271764)
ChEBI Ontology
Outgoing Relation(s)
Pestalotiopsone A (CHEBI:216774) is a chromones (CHEBI:23238)
IUPAC Name 
methyl 2-(2-heptyl-7-hydroxy-4-oxochromen-5-yl)acetate
Manual XrefsDatabases
24618091ChemSpider