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CHEBI:231332 - (E)-ferulic acid β-D-glucuronate ester

ChEBI IDCHEBI:231332
ChEBI Name(E)-ferulic acid β-D-glucuronate ester
Stars
ASCII Name(E)-ferulic acid beta-D-glucuronate ester
DefinitionMajor species at pH 7.3.
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC16H17O10
Net Charge-1
Average Mass369.302
Monoisotopic Mass369.08272
SMILESCOc1cc(/C=C/C(=O)O[C@@H]2O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]2O)ccc1O
InChIInChI=1S/C16H18O10/c1-24-9-6-7(2-4-8(9)17)3-5-10(18)25-16-13(21)11(19)12(20)14(26-16)15(22)23/h2-6,11-14,16-17,19-21H,1H3,(H,22,23)/p-1/b5-3+/t11-,12-,13+,14-,16+/m0/s1
InChIKeyQJPVKEBTJJKZFP-MBAOVNHDSA-M
ChEBI Ontology
Outgoing Relation(s)
(E)-ferulic acid β-D-glucuronate ester (CHEBI:231332) is a phenols (CHEBI:33853)
(E)-ferulic acid β-D-glucuronate ester (CHEBI:231332) is a β-D-glucoside (CHEBI:22798)
UniProt Name  Source
(E)-ferulic acid β-D-glucuronate esterUniProt
Citations