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

ChEBI IDCHEBI:86586
ChEBI Namemethyl 4-[(2',3',4',6'-tetra-O-acetyl)-β-D-glucopyranosyl]coumarate
Stars
ASCII Namemethyl 4-[(2',3',4',6'-tetra-O-acetyl)-beta-D-glucopyranosyl]coumarate
DefinitionAn 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.
Last Modified23 July 2015
DownloadsMolfile
FormulaC23H26O12
Net Charge0
Average Mass494.449
Monoisotopic Mass494.14243
SMILESCC(=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
InChIInChI=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
InChIKeyROAJFWNOTCXYMP-XVOHNCCYSA-N
ChEBI Ontology
Outgoing Relation(s)
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 acidChEBI
Registry NumbersSources
Reaxys:4773472Reaxys