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CHEBI:65941 - 6-O-galloyl-β-D-glucose

ChEBI IDCHEBI:65941
ChEBI Name6-O-galloyl-β-D-glucose
Stars
ASCII Name6-O-galloyl-beta-D-glucose
DefinitionA a galloyl β-D-glucose compound having a galloyl group at the 6-position. Isolated from the leaves of Sapium sebiferum, it exhibits antihypertensive activity.
Last Modified30 January 2013
DownloadsMolfile
FormulaC13H16O10
Net Charge0
Average Mass332.261
Monoisotopic Mass332.07435
SMILESO=C(OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O)c1cc(O)c(O)c(O)c1
InChIInChI=1S/C13H16O10/c14-5-1-4(2-6(15)8(5)16)12(20)22-3-7-9(17)10(18)11(19)13(21)23-7/h1-2,7,9-11,13-19,21H,3H2/t7-,9-,10+,11-,13-/m1/s1
InChIKeyVGVDLJNNDOFWKT-JEUROIALSA-N
Species of MetaboliteComponentSourceComments
Sapium sebiferum (ncbitaxon:139772) leaf (BTO:0000713) PubMed (7513748)
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
Application:
antihypertensive agent  Any drug used in the treatment of acute or chronic vascular hypertension regardless of pharmacological mechanism.
ChEBI Ontology
Outgoing Relation(s)
6-O-galloyl-β-D-glucose (CHEBI:65941) has role antihypertensive agent (CHEBI:35674)
6-O-galloyl-β-D-glucose (CHEBI:65941) has role metabolite (CHEBI:25212)
6-O-galloyl-β-D-glucose (CHEBI:65941) is a gallate ester (CHEBI:37576)
6-O-galloyl-β-D-glucose (CHEBI:65941) is a galloyl β-D-glucose (CHEBI:24183)
IUPAC Name 
6-O-(3,4,5-trihydroxybenzoyl)-β-D-glucopyranose
Registry NumbersSources
Reaxys:3068868Reaxys
Citations