CHEBI:17335 - 4-O-β-D-glucosyl-4-coumaric acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 4-O-β-D-glucosyl-4-coumaric acid
ChEBI ID CHEBI:17335
ChEBI ASCII Name 4-O-beta-D-glucosyl-4-coumaric acid
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:1919, CHEBI:20300, CHEBI:11950
Supplier Information
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Formulae C15H18O8
C15H18O8
Net Charge 0
Average Mass 326.29862
Monoisotopic Mass 326.10017
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)/t10-,12-,13+,14-,15-/m1/s1
InChIKey LJFYQZQUAULRDF-TVKJYDDYSA-N
SMILES [H]C(=Cc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1)C(O)=O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 4-O-β-D-glucosyl-4-coumaric acid (CHEBI:17335) has functional parent 4-coumaric acid (CHEBI:36090)
4-O-β-D-glucosyl-4-coumaric acid (CHEBI:17335) is a glucosyl hydroxycinnamic acid (CHEBI:24282)
4-O-β-D-glucosyl-4-coumaric acid (CHEBI:17335) is a olefinic compound (CHEBI:78840)
4-O-β-D-glucosyl-4-coumaric acid (CHEBI:17335) is conjugate acid of 4-O-β-D-glucosyl-4-coumarate (CHEBI:47893)
Incoming 4'-O-β-D-glucosyl-cis-p-coumaric acid (CHEBI:16099) is a 4-O-β-D-glucosyl-4-coumaric acid (CHEBI:17335)
4-O-β-D-glucosyl-trans-4-coumaric acid (CHEBI:83032) is a 4-O-β-D-glucosyl-4-coumaric acid (CHEBI:17335)
4-O-β-D-glucosyl-4-coumarate (CHEBI:47893) is conjugate base of 4-O-β-D-glucosyl-4-coumaric acid (CHEBI:17335)
IUPAC Name
3-[4-(β-D-glucopyranosyloxy)phenyl]prop-2-enoic acid
Synonyms Sources
3-[4-(β-D-glucopyranosyloxy)phenyl]acrylic acid ChEBI
4-O-[4-(2-carboxyvinyl)phenyl]-β-D-glucopyranose ChEBI
Manual Xref Database
C04415 KEGG COMPOUND
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Registry Number Type Source
6528358 Beilstein Registry Number Beilstein
Last Modified
14 September 2022