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CHEBI:15723 - 1,6-bis-O-galloyl-β-D-glucose

ChEBI IDCHEBI:15723
ChEBI Name1,6-bis-O-galloyl-β-D-glucose
Stars
ASCII Name1,6-bis-O-galloyl-beta-D-glucose
DefinitionA galloyl-β-D-glucose compound having two galloyl groups in the 1- and 6-positions.
Secondary ChEBI IDsCHEBI:650, CHEBI:11211, CHEBI:18977
Last Modified13 November 2017
DownloadsMolfile
FormulaC20H20O14
Net Charge0
Average Mass484.366
Monoisotopic Mass484.08531
SMILESO=C(OC[C@H]1O[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O)c1cc(O)c(O)c(O)c1
InChIInChI=1S/C20H20O14/c21-8-1-6(2-9(22)13(8)25)18(30)32-5-12-15(27)16(28)17(29)20(33-12)34-19(31)7-3-10(23)14(26)11(24)4-7/h1-4,12,15-17,20-29H,5H2/t12-,15-,16+,17-,20+/m1/s1
InChIKeyLYGRISUQIZNHGM-IVABAYMNSA-N
Species of MetaboliteComponentSourceComments
Acacia mearnsii (ncbitaxon:139012) bark (BTO:0001301) PubMed (21192716) Spray-dried aqueous extract of bark
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.
ChEBI Ontology
Outgoing Relation(s)
1,6-bis-O-galloyl-β-D-glucose (CHEBI:15723) has role metabolite (CHEBI:25212)
1,6-bis-O-galloyl-β-D-glucose (CHEBI:15723) is a gallate ester (CHEBI:37576)
1,6-bis-O-galloyl-β-D-glucose (CHEBI:15723) is a galloyl β-D-glucose (CHEBI:24183)
IUPAC Name 
1,6-bis-O-(3,4,5-trihydroxybenzoyl)-β-D-glucopyranose
Synonyms  Source
1-O,6-O-Digalloyl-beta-D-glucoseKEGG COMPOUND
1-O,6-O-digalloyl-beta-D-glucoseChEBI
UniProt Name  Source
1,6-bis-O-galloyl-β-D-glucoseUniProt
Manual XrefsDatabases
C04101KEGG COMPOUND
C04101KEGG COMPOUND