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CHEBI:214882 - Chenopodolan F

ChEBI IDCHEBI:214882
ChEBI NameChenopodolan F
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H14O4
Net Charge0
Average Mass222.240
Monoisotopic Mass222.08921
SMILESCOC1=C(C)O[C@H]2OC(C)=CC(C(C)=O)=C12
InChIInChI=1S/C12H14O4/c1-6-5-9(7(2)13)10-11(14-4)8(3)16-12(10)15-6/h5,12H,1-4H3/t12-/m1/s1
InChIKeyVYUXCMNBSLJEAW-GFCCVEGCSA-N
Species of MetaboliteComponentSourceComments
Didymella chenopodii (ncbitaxon:749820) - DOI (10.1016/j.tet.2016.11.024)
ChEBI Ontology
Outgoing Relation(s)
Chenopodolan F (CHEBI:214882) is a furopyran (CHEBI:74927)
IUPAC Name 
1-[(7aR)-3-methoxy-2,6-dimethyl-7aH-uro[2,3-b]pyran-4-yl]ethanone
Manual XrefsDatabases
78437524ChemSpider