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CHEBI:15834 - 1-O-galloyl-β-D-glucose

ChEBI IDCHEBI:15834
ChEBI Name1-O-galloyl-β-D-glucose
Stars
ASCII Name1-O-galloyl-beta-D-glucose
DefinitionA galloyl-β-D-glucose compound having a galloyl group at the 1-position.
Secondary ChEBI IDsCHEBI:655, CHEBI:11210, CHEBI:11217, CHEBI:11255, CHEBI:18984
Last Modified2 May 2016
DownloadsMolfile
FormulaC13H16O10
Net Charge0
Average Mass332.261
Monoisotopic Mass332.07435
SMILESO=C(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1cc(O)c(O)c(O)c1
InChIInChI=1S/C13H16O10/c14-3-7-9(18)10(19)11(20)13(22-7)23-12(21)4-1-5(15)8(17)6(16)2-4/h1-2,7,9-11,13-20H,3H2/t7-,9-,10+,11-,13+/m1/s1
InChIKeyGDVRUDXLQBVIKP-HQHREHCSSA-N
Wikipedia
ChEBI Ontology
Outgoing Relation(s)
1-O-galloyl-β-D-glucose (CHEBI:15834) is a gallate ester (CHEBI:37576)
1-O-galloyl-β-D-glucose (CHEBI:15834) is a galloyl β-D-glucose (CHEBI:24183)
IUPAC Name 
1-O-(3,4,5-trihydroxybenzoyl)-β-D-glucopyranose
Synonyms  Source
1-O-Galloyl-beta-D-glucoseKEGG COMPOUND
1-Galloyl-beta-glucoseKEGG COMPOUND
beta-GlucogallinKEGG COMPOUND
1-O-galloyl-beta-D-glucoseChEBI
1-Galloyl-beta-D-glucoseKEGG COMPOUND
UniProt Name  Source
1-O-galloyl-β-D-glucoseUniProt
Manual XrefsDatabases
C01158KEGG COMPOUND
C01158KEGG COMPOUND
GlucogallinWikipedia
C00002652KNApSAcK
Registry NumbersSources
CAS:554-37-0KEGG COMPOUND