CHEBI:231331 - (E)-4-O-(β-D-glucuronosyl)-ferulate(2−)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name (E)-4-O-(β-D-glucuronosyl)-ferulate(2−)
ChEBI ID CHEBI:231331
ChEBI ASCII Name (E)-4-O-(beta-D-glucuronosyl)-ferulate(2-)
Definition Major species at pH 7.3.
Stars This entity has been manually annotated by a third party.
Submitter Kristian Axelsen
Supplier Information ChemicalBook:CB8496834, eMolecules:8320714, Selleckchem:desvenlafaxine
Download Molfile XML SDF
Formula C16H16O10
Net Charge -2
Average Mass 368.295
Monoisotopic Mass 368.07544
InChI InChI=1S/C16H18O10/c1-24-9-6-7(3-5-10(17)18)2-4-8(9)25-16-13(21)11(19)12(20)14(26-16)15(22)23/h2-6,11-14,16,19-21H,1H3,(H,17,18)(H,22,23)/p-2/b5-3+/t11-,12-,13+,14-,16+/m0/s1
InChIKey TWSIWBHKRJLZCF-MBAOVNHDSA-L
SMILES [C@H]1(O[C@H](C([O-])=O)[C@H]([C@@H]([C@H]1O)O)O)OC=2C=CC(=CC2OC)/C=C/C(=O)[O-]
ChEBI Ontology
Outgoing (E)-4-O-(β-D-glucuronosyl)-ferulate(2−) (CHEBI:231331) is a β-D-glucoside (CHEBI:22798)
(E)-4-O-(β-D-glucuronosyl)-ferulate(2−) (CHEBI:231331) is a monocarboxylic acid anion (CHEBI:35757)
(E)-4-O-(β-D-glucuronosyl)-ferulate(2−) (CHEBI:231331) is conjugate base of ferulic acid 4-glucuronide (CHEBI:189724)
Incoming ferulic acid 4-glucuronide (CHEBI:189724) is conjugate acid of (E)-4-O-(β-D-glucuronosyl)-ferulate(2−) (CHEBI:231331)
Synonym Source
(E)-4-O-(β-D-glucuronosyl)-ferulate UniProt
Citation Type Source
21422672 PubMed citation SUBMITTER