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CHEBI:215607 - Pestalopyrone C

ChEBI IDCHEBI:215607
ChEBI NamePestalopyrone C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H28O5
Net Charge0
Average Mass336.428
Monoisotopic Mass336.19367
SMILESCCC(C)[C@@]12OC[C@@H](C(C)C(C)O)[C@@H]1Cc1c(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-HSGQKLQUSA-N
Species of MetaboliteComponentSourceComments
Pestalotiopsis (ncbitaxon:37840) - PubMed (32919290)
ChEBI Ontology
Outgoing Relation(s)
Pestalopyrone C (CHEBI:215607) is a furopyran (CHEBI:74927)
IUPAC Name 
(3S,6S,7S)-3-butan-2-yl-6-(3-hydroxybutan-2-yl)-12-methyl-2,4,11-trioxatricyclo[7.4.0.03,7]trideca-1(9),12-dien-10-one