CHEBI:71498 - 1-O-(4-coumaroyl)-β-D-glucose

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1-O-(4-coumaroyl)-β-D-glucose
ChEBI ID CHEBI:71498
ChEBI ASCII Name 1-O-(4-coumaroyl)-beta-D-glucose
Definition An O-acyl carbohydrate that is β-D-glucose bearing a 4-coumaroyl substituent at position 1.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter KAX
Supplier Information
Download Molfile XML SDF
Formula C15H18O8
Net Charge 0
Average Mass 326.29860
Monoisotopic Mass 326.10017
InChI InChI=1S/C15H18O8/c16-7-10-12(19)13(20)14(21)15(22-10)23-11(18)6-3-8-1-4-9(17)5-2-8/h1-6,10,12-17,19-21H,7H2/b6-3+/t10-,12-,13+,14-,15+/m1/s1
InChIKey DSNCQKUYZOSARM-QVLXMGEUSA-N
SMILES OC[C@H]1O[C@@H](OC(=O)\C=C\c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O
ChEBI Ontology
Outgoing 1-O-(4-coumaroyl)-β-D-glucose (CHEBI:71498) has functional parent trans-4-coumaric acid (CHEBI:32374)
1-O-(4-coumaroyl)-β-D-glucose (CHEBI:71498) is a O-acyl carbohydrate (CHEBI:52782)
IUPAC Name
1-O-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]-β-D-glucopyranose
Synonyms Sources
1-O-(4-Coumaroyl)-beta-D-glucose KEGG COMPOUND
1-O-(4-hydroxycinnamoyl)-β-D-glucose SUBMITTER
1-O-(trans-4-coumaroyl)-β-D-glucose UniProt
p-coumaroyl-β-D-glucose SUBMITTER
Manual Xrefs Databases
C16827 KEGG COMPOUND
CPD-8674 MetaCyc
View more database links
Registry Numbers Types Sources
1295234 Reaxys Registry Number Reaxys
7139-64-2 CAS Registry Number ChemIDplus
Citation Waiting for Citations Type Source
16756345 PubMed citation Europe PMC
Last Modified
22 August 2018
General Comment
2013-01-11 See: Glassgen, W.E. and Seitz, H.U. Acylation of anthocyanins with hydroxycinnamic acids via 1-O-acylglucosides by protein preparations from cell cultures of Daucus carota L. Planta 186 (1992) 582-585.