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

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ChEBI Name 1,6-bis-O-galloyl-β-D-glucose
ChEBI ID CHEBI:15723
ChEBI ASCII Name 1,6-bis-O-galloyl-beta-D-glucose
Definition A galloyl-β-D-glucose compound having two galloyl groups in the 1- and 6-positions.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:650, CHEBI:18977, CHEBI:11211
Supplier Information
Download Molfile XML SDF
Formula C20H20O14
Net Charge 0
Average Mass 484.36440
Monoisotopic Mass 484.08531
InChI InChI=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
InChIKey LYGRISUQIZNHGM-IVABAYMNSA-N
SMILES O[C@H]1[C@H](O)[C@@H](O)[C@@H](O[C@@H]1COC(=O)c1cc(O)c(O)c(O)c1)OC(=O)c1cc(O)c(O)c(O)c1
Metabolite of Species Details
Acacia mearnsii (NCBI:txid139012) Found in bark (BTO:0001301). Spray-dried aqueous extract of bark See: PubMed
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Sources
1,6-bis-O-galloyl-β-D-glucose UniProt
1-O,6-O-digalloyl-beta-D-glucose ChEBI
1-O,6-O-Digalloyl-beta-D-glucose KEGG COMPOUND
Manual Xref Database
C04101 KEGG COMPOUND
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Last Modified
13 November 2017