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CHEBI:17531 - trans-β-D-glucosyl-2-hydroxycinnamic acid

Default Structure
ChEBI IDCHEBI:17531
ChEBI Nametrans-β-D-glucosyl-2-hydroxycinnamic acid
Stars
ASCII Nametrans-beta-D-glucosyl-2-hydroxycinnamic acid
Secondary ChEBI IDsCHEBI:10736, CHEBI:12877, CHEBI:27071
Last Modified18 September 2014
DownloadsMolfile
FormulaC15H18O8
Net Charge0
Average Mass326.301
Monoisotopic Mass326.10017
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)/b6-5+/t10-,12-,13+,14-,15-/m1/s1
InChIKeyGVRIYIMNJGULCZ-ZMKUSUEASA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
trans-β-D-glucosyl-2-hydroxycinnamic acid (CHEBI:17531) is a glucosyl hydroxycinnamic acid (CHEBI:24282)
trans-β-D-glucosyl-2-hydroxycinnamic acid (CHEBI:17531) is conjugate acid of trans-β-D-glucosyl-2-hydroxycinnamate (CHEBI:58181)
Incoming Relation(s)
trans-β-D-glucosyl-2-hydroxycinnamate (CHEBI:58181) is conjugate base of trans-β-D-glucosyl-2-hydroxycinnamic acid (CHEBI:17531)
IUPAC Name 
(2E)-3-[2-(β-D-glucopyranosyloxy)phenyl]prop-2-enoic acid
Synonyms  Source
(2E)-3-[2-(β-D-glucopyranosyloxy)phenyl]acrylic acidChEBI
beta-D-Glucosyl-2-coumarateKEGG COMPOUND
trans-beta-D-glucosyl-2-hydroxycinnamateChEBI
trans-beta-D-Glucosyl-2-hydroxycinnamateKEGG COMPOUND
Manual XrefsDatabases
C05158KEGG COMPOUND
C05158KEGG COMPOUND