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

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ChEBI Name 4-O-β-D-glucosyl-trans-4-coumarate
ChEBI ID CHEBI:79066
ChEBI ASCII Name 4-O-beta-D-glucosyl-trans-4-coumarate
Definition A 4-O-β-D-glucosyl-4-coumarate in which the double bond has trans-configuration.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Kristian Axelsen
Supplier Information
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Formula C15H17O8
Net Charge -1
Average Mass 325.29120
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/b6-3+/t10-,12-,13+,14-,15-/m1/s1
InChIKey LJFYQZQUAULRDF-FDGSXQGBSA-M
SMILES OC[C@H]1O[C@@H](Oc2ccc(\C=C\C([O-])=O)cc2)[C@H](O)[C@@H](O)[C@@H]1O
ChEBI Ontology
Outgoing 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 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 Sources
(2E)-3-[4-(β-D-glucopyranosyloxy)phenyl]acrylate IUPAC
4-O-(β-D-glucosyl)-trans-4-coumarate UniProt
4-O-β-D-glucosyl-4-hydroxycinnamate MetaCyc
Manual Xref Database
CPD-457 MetaCyc
View more database links
Last Modified
22 August 2018