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CHEBI:226804 - 2'-hydroxyethyl guignardate

ChEBI IDCHEBI:226804
ChEBI Name2'-hydroxyethyl guignardate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H18O6
Net Charge0
Average Mass306.314
Monoisotopic Mass306.11034
SMILESCC(C)[C@@]1(C(=O)OCCO)OC(=O)/C(=C/c2ccccc2)O1
InChIInChI=1S/C16H18O6/c1-11(2)16(15(19)20-9-8-17)21-13(14(18)22-16)10-12-6-4-3-5-7-12/h3-7,10-11,17H,8-9H2,1-2H3/b13-10-/t16-/m0/s1
InChIKeyHKOOHRWDJKETEJ-DDKJEQMHSA-N
Species of MetaboliteComponentSourceComments
Phyllosticta capitalensis (ncbitaxon:121624) - DOI (10.1016/j.tet.2019.07.003)
ChEBI Ontology
Outgoing Relation(s)
2'-hydroxyethyl guignardate (CHEBI:226804) is a fatty acid ester (CHEBI:35748)
IUPAC Name 
2-hydroxyethyl (2S,4Z)-4-benzylidene-5-oxo-2-propan-2-yl-1,3-dioxolane-2-carboxylate