CHEBI:86586 - methyl 4-[(2',3',4',6'-tetra-O-acetyl)-β-D-glucopyranosyl]coumarate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name methyl 4-[(2',3',4',6'-tetra-O-acetyl)-β-D-glucopyranosyl]coumarate
ChEBI ID CHEBI:86586
ChEBI ASCII Name methyl 4-[(2',3',4',6'-tetra-O-acetyl)-beta-D-glucopyranosyl]coumarate
Definition An O-acyl carbohydrate that is trans-4-coumaric acid attached to a 2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl residue at position 4 via a glycosidic linkage.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C23H26O12
Net Charge 0
Average Mass 494.44530
Monoisotopic Mass 494.14243
InChI InChI=1S/C23H26O12/c1-12(24)30-11-18-20(31-13(2)25)21(32-14(3)26)22(33-15(4)27)23(35-18)34-17-8-5-16(6-9-17)7-10-19(28)29/h5-10,18,20-23H,11H2,1-4H3,(H,28,29)/b10-7+/t18-,20-,21+,22-,23-/m1/s1
InChIKey ROAJFWNOTCXYMP-XVOHNCCYSA-N
SMILES CC(=O)OC[C@H]1O[C@@H](Oc2ccc(\C=C\C(O)=O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O
ChEBI Ontology
Outgoing methyl 4-[(2',3',4',6'-tetra-O-acetyl)-β-D-glucopyranosyl]coumarate (CHEBI:86586) has functional parent trans-4-coumaric acid (CHEBI:32374)
methyl 4-[(2',3',4',6'-tetra-O-acetyl)-β-D-glucopyranosyl]coumarate (CHEBI:86586) is a O-acyl carbohydrate (CHEBI:52782)
methyl 4-[(2',3',4',6'-tetra-O-acetyl)-β-D-glucopyranosyl]coumarate (CHEBI:86586) is a acetate ester (CHEBI:47622)
methyl 4-[(2',3',4',6'-tetra-O-acetyl)-β-D-glucopyranosyl]coumarate (CHEBI:86586) is a monosaccharide derivative (CHEBI:63367)
IUPAC Name
(2E)-3-{4-[(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)oxy]phenyl}prop-2-enoic acid
Synonym Source
acetylated p-gluco cinnamic acid ChEBI
Registry Number Type Source
4773472 Reaxys Registry Number Reaxys
Last Modified
23 July 2015