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CHEBI:214896 - Zofiellone

ChEBI IDCHEBI:214896
ChEBI NameZofiellone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H14O8
Net Charge0
Average Mass298.247
Monoisotopic Mass298.06887
SMILESCOc1c(COC(C)=O)c(/C=C/C(=O)O)oc(=O)c1CO
InChIInChI=1S/C13H14O8/c1-7(15)20-6-9-10(3-4-11(16)17)21-13(18)8(5-14)12(9)19-2/h3-4,14H,5-6H2,1-2H3,(H,16,17)/b4-3+
InChIKeyGOIQSKIUIBOXOX-ONEGZZNKSA-N
Species of MetaboliteComponentSourceComments
Zopfiellaspecies (ncbitaxon:2107997) - DOI (10.1016/j.phytol.2020.03.008)
ChEBI Ontology
Outgoing Relation(s)
Zofiellone (CHEBI:214896) is a pyranone (CHEBI:37963)
IUPAC Name 
(E)-3-[3-(acetyloxymethyl)-5-(hydroxymethyl)-4-methoxy-6-oxopyran-2-yl]prop-2-enoic acid