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CHEBI:79066 - 4-O-β-D-glucosyl-trans-4-coumarate

ChEBI IDCHEBI:79066
ChEBI Name4-O-β-D-glucosyl-trans-4-coumarate
Stars
ASCII Name4-O-beta-D-glucosyl-trans-4-coumarate
DefinitionA 4-O-β-D-glucosyl-4-coumarate in which the double bond has trans-configuration.
Last Modified22 August 2018
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC15H17O8
Net Charge-1
Average Mass325.293
Monoisotopic Mass325.09289
SMILESO=C([O-])/C=C/c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1
InChIInChI=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/b6-3+/t10-,12-,13+,14-,15-/m1/s1
InChIKeyLJFYQZQUAULRDF-FDGSXQGBSA-M
ChEBI Ontology
Outgoing Relation(s)
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-trans-4-coumarate (CHEBI:79066) is conjugate base of 4-O-β-D-glucosyl-trans-4-coumaric acid (CHEBI:83032)
Incoming Relation(s)
4-O-β-D-glucosyl-trans-4-coumaric acid (CHEBI:83032) is conjugate acid of 4-O-β-D-glucosyl-trans-4-coumarate (CHEBI:79066)
IUPAC Name 
(2E)-3-[4-(β-D-glucopyranosyloxy)phenyl]prop-2-enoate
Synonyms  Source
4-O-β-D-glucosyl-4-hydroxycinnamateMetaCyc
(2E)-3-[4-(β-D-glucopyranosyloxy)phenyl]acrylateIUPAC
UniProt Name  Source
4-O-(β-D-glucosyl)-trans-4-coumarateUniProt
Manual XrefsDatabases
CPD-457MetaCyc