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CHEBI:226808 - Ethyl guignardate

ChEBI IDCHEBI:226808
ChEBI NameEthyl guignardate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H18O5
Net Charge0
Average Mass290.315
Monoisotopic Mass290.11542
SMILESCCOC(=O)[C@]1(C(C)C)OC(=O)/C(=C/c2ccccc2)O1
InChIInChI=1S/C16H18O5/c1-4-19-15(18)16(11(2)3)20-13(14(17)21-16)10-12-8-6-5-7-9-12/h5-11H,4H2,1-3H3/b13-10-/t16-/m0/s1
InChIKeyNHFTWNDMIZQIAA-DDKJEQMHSA-N
Species of MetaboliteComponentSourceComments
Phyllosticta capitalensis (ncbitaxon:121624) - DOI (10.1016/j.tet.2019.07.003)
ChEBI Ontology
Outgoing Relation(s)
Ethyl guignardate (CHEBI:226808) is a fatty acid ester (CHEBI:35748)
IUPAC Name 
ethyl (2S,4Z)-4-benzylidene-5-oxo-2-propan-2-yl-1,3-dioxolane-2-carboxylate