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CHEBI:206973 - Pestalotiopyrone A

ChEBI IDCHEBI:206973
ChEBI NamePestalotiopyrone A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H18O6
Net Charge0
Average Mass282.292
Monoisotopic Mass282.11034
SMILESCOc1c([C@H](C)O)coc(=O)c1COC(=O)C=C(C)C
InChIInChI=1S/C14H18O6/c1-8(2)5-12(16)19-7-11-13(18-4)10(9(3)15)6-20-14(11)17/h5-6,9,15H,7H2,1-4H3/t9-/m0/s1
InChIKeyMTBSEPKZCQEYRK-VIFPVBQESA-N
Species of MetaboliteComponentSourceComments
Pestalotiopsisspecies (ncbitaxon:36460) - DOI (10.1016/j.phytol.2011.08.008)
ChEBI Ontology
Outgoing Relation(s)
Pestalotiopyrone A (CHEBI:206973) is a pyranone (CHEBI:37963)
IUPAC Name 
[5-[(1S)-1-hydroxyethyl]-4-methoxy-2-oxopyran-3-yl]methyl 3-methylbut-2-enoate
Manual XrefsDatabases
29214716ChemSpider