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

ChEBI IDCHEBI:231331
ChEBI Name(E)-4-O-(β-D-glucuronosyl)-ferulate(2−)
Stars
ASCII Name(E)-4-O-(beta-D-glucuronosyl)-ferulate(2-)
DefinitionMajor species at pH 7.3.
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC16H16O10
Net Charge-2
Average Mass368.294
Monoisotopic Mass368.07544
SMILESCOc1cc(/C=C/C(=O)[O-])ccc1O[C@@H]1O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=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
InChIKeyTWSIWBHKRJLZCF-MBAOVNHDSA-L
ChEBI Ontology
Outgoing Relation(s)
(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 a β-D-glucoside (CHEBI:22798)
(E)-4-O-(β-D-glucuronosyl)-ferulate(2−) (CHEBI:231331) is conjugate base of ferulic acid 4-glucuronide (CHEBI:189724)
Incoming Relation(s)
ferulic acid 4-glucuronide (CHEBI:189724) is conjugate acid of (E)-4-O-(β-D-glucuronosyl)-ferulate(2−) (CHEBI:231331)
UniProt Name  Source
(E)-4-O-(β-D-glucuronosyl)-ferulateUniProt
Citations