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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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)-ferulic acid β-D-glucuronate ester
ChEBI ID CHEBI:231332
ChEBI ASCII Name (E)-ferulic acid beta-D-glucuronate ester
Definition Major species at pH 7.3.
Stars This entity has been manually annotated by a third party.
Submitter Kristian Axelsen
Supplier Information ChemicalBook:CB2417820, eMolecules:530999, ZINC000000967582
Download Molfile XML SDF
Formula C16H17O10
Net Charge -1
Average Mass 369.303
Monoisotopic Mass 369.08272
InChI InChI=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
InChIKey QJPVKEBTJJKZFP-MBAOVNHDSA-M
SMILES [C@H]1(O[C@H](C([O-])=O)[C@H]([C@@H]([C@H]1O)O)O)OC(\C=C\C=2C=CC(=C(C2)OC)O)=O
ChEBI Ontology
Outgoing (E)-ferulic acid β-D-glucuronate ester (CHEBI:231332) is a β-D-glucoside (CHEBI:22798)
(E)-ferulic acid β-D-glucuronate ester (CHEBI:231332) is a phenols (CHEBI:33853)
Synonym Source
(E)-ferulic acid β-D-glucuronate ester UniProt
Citation Waiting for Citations Type Source
21422672 PubMed citation SUBMITTER