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

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ChEBI Name 4-O-β-D-glucosyl-trans-caffeate
ChEBI ID CHEBI:141765
ChEBI ASCII Name 4-O-beta-D-glucosyl-trans-caffeate
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Kristian Axelsen
Supplier Information
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Formula C15H17O9
Net Charge -1
Average Mass 341.291
Monoisotopic Mass 341.08781
InChI InChI=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
InChIKey OHEYCHKLBCPRLZ-VHCZEJTMSA-M
SMILES C=1(C=C(C=CC1O[C@@H]2O[C@@H]([C@H]([C@@H]([C@H]2O)O)O)CO)/C=C/C(=O)[O-])O
ChEBI Ontology
Outgoing 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 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-enoate IUPAC
Citation Waiting for Citations Type Source
11042211 PubMed citation SUBMITTER
Last Modified
22 October 2018