CHEBI:47893 - 4-O-β-D-glucosyl-4-coumarate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 4-O-β-D-glucosyl-4-coumarate
ChEBI ID CHEBI:47893
ChEBI ASCII Name 4-O-beta-D-glucosyl-4-coumarate
Definition A monocarboxylic acid anion that is the is conjugate base of 4-O-β-D-glucosyl-4-coumaric acid.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C15H17O8
Net Charge -1
Average Mass 325.29068
Monoisotopic Mass 325.09289
InChI InChI=1S/C15H18O8/c16-7-10-12(19)13(20)14(21)15(23-10)22-9-4-1-8(2-5-9)3-6-11(17)18/h1-6,10,12-16,19-21H,7H2,(H,17,18)/p-1/t10-,12-,13+,14-,15-/m1/s1
InChIKey LJFYQZQUAULRDF-TVKJYDDYSA-M
SMILES [H]C(=Cc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1)C([O-])=O
ChEBI Ontology
Outgoing 4-O-β-D-glucosyl-4-coumarate (CHEBI:47893) has functional parent 4-coumarate (CHEBI:32373)
4-O-β-D-glucosyl-4-coumarate (CHEBI:47893) is a monocarboxylic acid anion (CHEBI:35757)
4-O-β-D-glucosyl-4-coumarate (CHEBI:47893) is conjugate base of 4-O-β-D-glucosyl-4-coumaric acid (CHEBI:17335)
Incoming 4'-O-β-D-glucosyl-cis-p-coumarate (CHEBI:47892) is a 4-O-β-D-glucosyl-4-coumarate (CHEBI:47893)
4-O-β-D-glucosyl-trans-4-coumarate (CHEBI:79066) is a 4-O-β-D-glucosyl-4-coumarate (CHEBI:47893)
4-O-β-D-glucosyl-4-coumaric acid (CHEBI:17335) is conjugate acid of 4-O-β-D-glucosyl-4-coumarate (CHEBI:47893)
IUPAC Name
3-[4-(β-D-glucopyranosyloxy)phenyl]prop-2-enoate
Synonyms Sources
3-[4-(β-D-glucopyranosyloxy)phenyl]acrylate ChEBI
4-O-beta-D-Glucosyl-4-hydroxycinnamate KEGG COMPOUND
Manual Xref Database
C04415 KEGG COMPOUND
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Last Modified
18 September 2014