1-caffeoyl-beta-D-glucose (CHEBI:614)

ChEBI > Main

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name	1-caffeoyl-β-D-glucose

ChEBI ID	CHEBI:614

ChEBI ASCII Name	1-caffeoyl-beta-D-glucose

Definition	A cinnamate ester obtained by the formal condensation of the 1-hydroxy group of β-D-glucopyranose with the carboxy group of trans-caffeic acid.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

Download	Molfile XML SDF

Formula

C15H18O9

Net Charge

Average Mass

342.29800

Monoisotopic Mass

342.09508

InChI

InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(23-10)24-11(19)4-2-7-1-3-8(17)9(18)5-7/h1-5,10,12-18,20-22H,6H2/b4-2+/t10-,12-,13+,14-,15+/m1/s1

InChIKey

WQSDYZZEIBAPIN-VBQORRLJSA-N

SMILES

OC[C@H]1O[C@@H](OC(=O)\C=C\c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O

Metabolite of Species	Details
Centella asiatica (NCBI:txid48106)	See: MetaboLights Study

Roles Classification
Biological Role(s):	plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.

ChEBI Ontology
Outgoing	1-caffeoyl-β-D-glucose (CHEBI:614) has functional parent trans-caffeic acid (CHEBI:16433) 1-caffeoyl-β-D-glucose (CHEBI:614) has role plant metabolite (CHEBI:76924) 1-caffeoyl-β-D-glucose (CHEBI:614) is a β-D-glucoside (CHEBI:22798) 1-caffeoyl-β-D-glucose (CHEBI:614) is a catechols (CHEBI:33566) 1-caffeoyl-β-D-glucose (CHEBI:614) is a cinnamate ester (CHEBI:36087) 1-caffeoyl-β-D-glucose (CHEBI:614) is a monosaccharide derivative (CHEBI:63367)

IUPAC Name

1-O-[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]-β-D-glucopyranose

Synonym	Source
1-O-[(E)-caffeoyl]-β-D-glucose	UniProt

Last Modified

09 August 2019