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CHEBI:141765 - 4-O-β-D-glucosyl-trans-caffeate

ChEBI IDCHEBI:141765
ChEBI Name4-O-β-D-glucosyl-trans-caffeate
Stars
ASCII Name4-O-beta-D-glucosyl-trans-caffeate
DefinitionA hydroxy monocarboxylic acid anion resulting from the deprotonation of the carboxy group of 4-O-β-D-glucosyl-trans-caffeic acid. The major specides at pH 7.3.
Last Modified22 October 2018
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC15H17O9
Net Charge-1
Average Mass341.292
Monoisotopic Mass341.08781
SMILESO=C([O-])/C=C/c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(O)c1
InChIInChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(24-10)23-9-3-1-7(5-8(9)17)2-4-11(18)19/h1-5,10,12-17,20-22H,6H2,(H,18,19)/p-1/b4-2+/t10-,12-,13+,14-,15-/m1/s1
InChIKeyOHEYCHKLBCPRLZ-VHCZEJTMSA-M
ChEBI Ontology
Outgoing Relation(s)
4-O-β-D-glucosyl-trans-caffeate (CHEBI:141765) has functional parent trans-caffeate (CHEBI:57770)
4-O-β-D-glucosyl-trans-caffeate (CHEBI:141765) is a hydroxy monocarboxylic acid anion (CHEBI:36059)
4-O-β-D-glucosyl-trans-caffeate (CHEBI:141765) is conjugate base of 4-O-β-D-glucosyl-trans-caffeic acid (CHEBI:142393)
Incoming Relation(s)
4-O-β-D-glucosyl-trans-caffeic acid (CHEBI:142393) is conjugate acid of 4-O-β-D-glucosyl-trans-caffeate (CHEBI:141765)
IUPAC Name 
(2E)-3-[4-(β-D-glucopyranosyloxy)-3-hydroxyphenyl]acrylate
Synonym  Source
(2E)-3-[4-(β-D-glucopyranosyloxy)-3-hydroxyphenyl]prop-2-enoateIUPAC
Citations