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CHEBI:136559 - 2-galloyl-D-glucose

ChEBI IDCHEBI:136559
ChEBI Name2-galloyl-D-glucose
Stars
ASCII Name2-galloyl-D-glucose
DefinitionAn O-acyl carbohydrate obtained by formal condensation of the carboxy group of gallic acid with the 2-hydroxy group of D-glucose.
Last Modified16 February 2018
SubmitterKeeva
DownloadsMolfile
FormulaC13H16O10
Net Charge0
Average Mass332.261
Monoisotopic Mass332.07435
SMILES[H]C(=O)[C@H](OC(=O)c1cc(O)c(O)c(O)c1)[C@@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C13H16O10/c14-3-8(18)11(20)12(21)9(4-15)23-13(22)5-1-6(16)10(19)7(17)2-5/h1-2,4,8-9,11-12,14,16-21H,3H2/t8-,9+,11-,12-/m1/s1
InChIKeyNBZMHIIBAFCDKV-RBLKWDMZSA-N
Species of MetaboliteComponentSourceComments
Camellia sinensis (ncbitaxon:4442) - MetaboLights (MTBLS403)
Roles Classification
Biological Role:
Camellia sinensis metabolite  Any plant metabolite that is produced by Camellia sinensis.
ChEBI Ontology
Outgoing Relation(s)
2-galloyl-D-glucose (CHEBI:136559) has functional parent aldehydo-D-glucose (CHEBI:42758)
2-galloyl-D-glucose (CHEBI:136559) has functional parent gallic acid (CHEBI:30778)
2-galloyl-D-glucose (CHEBI:136559) has role Camellia sinensis metabolite (CHEBI:140160)
2-galloyl-D-glucose (CHEBI:136559) is a O-acyl carbohydrate (CHEBI:52782)
IUPAC Name 
2-O-(3,4,5-trihydroxybenzoyl)-D-glucose
Synonym  Source
2-galloylglucoseChEBI
Manual XrefsDatabases
19980678ChemSpider
Registry NumbersSources
Reaxys:29664847Reaxys