EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:58181 - trans-β-D-glucosyl-2-hydroxycinnamate

Default Structure
ChEBI IDCHEBI:58181
ChEBI Nametrans-β-D-glucosyl-2-hydroxycinnamate
Stars
ASCII Nametrans-beta-D-glucosyl-2-hydroxycinnamate
DefinitionThe conjugate base of trans-β-D-glucosyl-2-hydroxycinnamic acid; major species at pH 7.3.
Last Modified16 November 2017
DownloadsMolfile
FormulaC15H17O8
Net Charge-1
Average Mass325.293
Monoisotopic Mass325.09289
SMILESO=C([O-])/C=C/c1ccccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C15H18O8/c16-7-10-12(19)13(20)14(21)15(23-10)22-9-4-2-1-3-8(9)5-6-11(17)18/h1-6,10,12-16,19-21H,7H2,(H,17,18)/p-1/b6-5+/t10-,12-,13+,14-,15-/m1/s1
InChIKeyGVRIYIMNJGULCZ-ZMKUSUEASA-M
ChEBI Ontology
Outgoing Relation(s)
trans-β-D-glucosyl-2-hydroxycinnamate (CHEBI:58181) is a hydroxy monocarboxylic acid anion (CHEBI:36059)
trans-β-D-glucosyl-2-hydroxycinnamate (CHEBI:58181) is conjugate base of trans-β-D-glucosyl-2-hydroxycinnamic acid (CHEBI:17531)
Incoming Relation(s)
trans-β-D-glucosyl-2-hydroxycinnamic acid (CHEBI:17531) is conjugate acid of trans-β-D-glucosyl-2-hydroxycinnamate (CHEBI:58181)
Synonyms  Source
trans-β-D-glucosyl-2-hydroxycinnamate(1−)ChEBI
trans-β-D-glucosyl-2-hydroxycinnamate anionChEBI
UniProt Name  Source
trans-β-D-glucosyl-2-hydroxycinnamateUniProt