CHEBI:15834 - 1-O-galloyl-β-D-glucose

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ChEBI Name 1-O-galloyl-β-D-glucose
ChEBI ID CHEBI:15834
ChEBI ASCII Name 1-O-galloyl-beta-D-glucose
Definition A galloyl-β-D-glucose compound having a galloyl group at the 1-position.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:11255, CHEBI:655, CHEBI:11210, CHEBI:11217, CHEBI:18984
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Formula C13H16O10
Net Charge 0
Average Mass 332.26010
Monoisotopic Mass 332.074
InChI InChI=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
InChIKey GDVRUDXLQBVIKP-HQHREHCSSA-N
SMILES OC[C@H]1O[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O
ChEBI Ontology
Outgoing 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 Sources
1-Galloyl-beta-D-glucose KEGG COMPOUND
1-Galloyl-beta-glucose KEGG COMPOUND
1-O-galloyl-beta-D-glucose ChEBI
1-O-Galloyl-beta-D-glucose KEGG COMPOUND
1-O-galloyl-β-D-glucose UniProt
beta-Glucogallin KEGG COMPOUND
Manual Xrefs Databases
C00002652 KNApSAcK
C01158 KEGG COMPOUND
Glucogallin Wikipedia
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Registry Number Type Source
554-37-0 CAS Registry Number KEGG COMPOUND
Last Modified
02 May 2016