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CHEBI:215600 - Pestalopyrone B

ChEBI IDCHEBI:215600
ChEBI NamePestalopyrone B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H30O5
Net Charge0
Average Mass350.455
Monoisotopic Mass350.20932
SMILESCCC(C)C12OCC(C(C)[C@H](C)O)C1Cc1c(c(C)c(C)oc1=O)O2
InChIInChI=1S/C20H30O5/c1-7-10(2)20-17(16(9-23-20)11(3)13(5)21)8-15-18(25-20)12(4)14(6)24-19(15)22/h10-11,13,16-17,21H,7-9H2,1-6H3/t10?,11?,13-,16?,17?,20?/m0/s1
InChIKeyFRGOTSKELNMPGK-ZNVLEAAPSA-N
Species of MetaboliteComponentSourceComments
Pestalotiopsis (ncbitaxon:37840) - PubMed (32919290)
ChEBI Ontology
Outgoing Relation(s)
Pestalopyrone B (CHEBI:215600) is a furopyran (CHEBI:74927)
IUPAC Name 
3-butan-2-yl-6-[(3S)-3-hydroxybutan-2-yl]-12,13-dimethyl-2,4,11-trioxatricyclo[7.4.0.03,7]trideca-1(9),12-dien-10-one