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CHEBI:140772 - epicatechin 5-O-β-D-glucopyranoside-3-benzoate

ChEBI IDCHEBI:140772
ChEBI Nameepicatechin 5-O-β-D-glucopyranoside-3-benzoate
Stars
ASCII Nameepicatechin 5-O-beta-D-glucopyranoside-3-benzoate
Last Modified16 May 2018
Submittermwilliams
DownloadsMolfile
FormulaC28H28O12
Net Charge0
Average Mass556.520
Monoisotopic Mass556.15808
SMILESO=C(O[C@@H]1Cc2c(O[C@@H]3OC(CO)[C@@H](O)[C@H](O)C3O)cc(O)cc2O[C@@H]1c1ccc(O)c(O)c1)c1ccccc1
InChIInChI=1S/C28H28O12/c29-12-22-23(33)24(34)25(35)28(40-22)39-20-10-15(30)9-19-16(20)11-21(38-27(36)13-4-2-1-3-5-13)26(37-19)14-6-7-17(31)18(32)8-14/h1-10,21-26,28-35H,11-12H2/t21-,22?,23-,24+,25?,26-,28-/m1/s1
InChIKeyBZAMUAIUOGNDPV-AEJLRTPHSA-N
ChEBI Ontology
Outgoing Relation(s)
epicatechin 5-O-β-D-glucopyranoside-3-benzoate (CHEBI:140772) is a flavonoids (CHEBI:72544)
epicatechin 5-O-β-D-glucopyranoside-3-benzoate (CHEBI:140772) is a glycoside (CHEBI:24400)
Manual XrefsDatabases
LMPK12020069LIPID MAPS