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CHEBI:215596 - Pestalopyrone A

ChEBI IDCHEBI:215596
ChEBI NamePestalopyrone A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H28O5
Net Charge0
Average Mass336.428
Monoisotopic Mass336.19367
SMILESCCC(C)C12OCC(C(C)[C@H](C)O)C1Cc1c(cc(C)oc1=O)O2
InChIInChI=1S/C19H28O5/c1-6-10(2)19-16(15(9-22-19)12(4)13(5)20)8-14-17(24-19)7-11(3)23-18(14)21/h7,10,12-13,15-16,20H,6,8-9H2,1-5H3/t10?,12?,13-,15?,16?,19?/m0/s1
InChIKeyKFGVAOTZLKUXAN-UWRIXMGLSA-N
Species of MetaboliteComponentSourceComments
Pestalotiopsis (ncbitaxon:37840) - PubMed (32919290)
ChEBI Ontology
Outgoing Relation(s)
Pestalopyrone A (CHEBI:215596) is a furopyran (CHEBI:74927)
IUPAC Name 
3-butan-2-yl-6-[(3S)-3-hydroxybutan-2-yl]-12-methyl-2,4,11-trioxatricyclo[7.4.0.03,7]trideca-1(9),12-dien-10-one