CHEBI:62251 - 2-(β-D-glucosyloxy)-cis-cinnamic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2-(β-D-glucosyloxy)-cis-cinnamic acid
ChEBI ID CHEBI:62251
ChEBI ASCII Name 2-(beta-D-glucosyloxy)-cis-cinnamic acid
Definition A β-D-glucoside consisting of cis-2-coumaric acid having a β-D-glucosyl residue attached to the phenolic hydroxy group.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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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)22-9-4-2-1-3-8(9)5-6-11(17)18/h1-6,10,12-16,19-21H,7H2,(H,17,18)/b6-5-/t10-,12-,13+,14-,15-/m1/s1
InChIKey GVRIYIMNJGULCZ-QLFWQTQQSA-N
SMILES OC[C@H]1O[C@@H](Oc2ccccc2\C=C/C(O)=O)[C@H](O)[C@@H](O)[C@@H]1O
ChEBI Ontology
Outgoing 2-(β-D-glucosyloxy)-cis-cinnamic acid (CHEBI:62251) has functional parent cis-2-coumaric acid (CHEBI:28873)
2-(β-D-glucosyloxy)-cis-cinnamic acid (CHEBI:62251) is a β-D-glucoside (CHEBI:22798)
2-(β-D-glucosyloxy)-cis-cinnamic acid (CHEBI:62251) is conjugate acid of 2-(β-D-glucosyloxy)-cis-cinnamate (CHEBI:62223)
Incoming 2-(β-D-glucosyloxy)-cis-cinnamate (CHEBI:62223) is conjugate base of 2-(β-D-glucosyloxy)-cis-cinnamic acid (CHEBI:62251)
IUPAC Name
(2Z)-3-[2-(β-D-glucopyranosyloxy)phenyl]prop-2-enoic acid
Synonyms Sources
(2Z)-3-[2-(β-D-glucopyranosyloxy)phenyl]acrylic acid IUPAC
beta-D-Glucosyl-2-coumarinate KEGG COMPOUND
β-D-glucosyl-2-coumarinic acid ChEBI
cis-β-D-glucosyl-2-hydroxycinnamic acid ChEBI
cis-coumarinic acid-β-D-glucoside MetaCyc
cis-melilotoside ChEBI
Manual Xrefs Databases
C05839 KEGG COMPOUND
CPD-7417 MetaCyc
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Registry Number Type Source
21126837 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
17421059 PubMed citation Europe PMC
17497625 PubMed citation Europe PMC
Last Modified
28 July 2014