CHEBI:83032 - 4-O-β-D-glucosyl-trans-4-coumaric acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 4-O-β-D-glucosyl-trans-4-coumaric acid
ChEBI ASCII Name 4-O-beta-D-glucosyl-trans-4-coumaric acid
Definition A 4-O-β-D-glucosyl-4-coumaric acid in which the double bond has trans-configuration.
Stars This entity has been manually annotated by the ChEBI Team.
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(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)/b6-3+/t10-,12-,13+,14-,15-/m1/s1
SMILES OC[C@H]1O[C@@H](Oc2ccc(\C=C\C(O)=O)cc2)[C@H](O)[C@@H](O)[C@@H]1O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 4-O-β-D-glucosyl-trans-4-coumaric acid (CHEBI:83032) has role plant metabolite (CHEBI:76924)
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-trans-4-coumaric acid (CHEBI:83032) is conjugate acid of 4-O-β-D-glucosyl-trans-4-coumarate (CHEBI:79066)
Incoming 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)
(2E)-3-[4-(β-D-glucopyranosyloxy)phenyl]prop-2-enoic acid
Synonyms Sources
(2E)-3-[4-(β-D-glucopyranosyloxy)phenyl]acrylic acid IUPAC
3-(4-(beta-D-Glucopyranosyloxy)phenyl)-2-Propenoic acid HMDB
4-O-[4-(2-Carboxyvinyl)phenyl]-beta-D-glucopyranose HMDB
4-O-beta-D-Glucosyl-4-coumaric acid HMDB
4-O-β-D-glucosyl-4-hydroxycinnamic acid ChEBI
trans-β-D-glucosyl-4-hydroxycinnamic acid ChEBI
trans-p-Coumaric acid 4-glucoside HMDB
Manual Xrefs Databases
CPD-457 MetaCyc
HMDB0039509 HMDB
View more database links
Registry Numbers Types Sources
14364-05-7 CAS Registry Number HMDB
3563646 Reaxys Registry Number Reaxys
Last Modified
18 September 2014