2-galloyl-D-glucose (CHEBI:136559)

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ChEBI Name	2-galloyl-D-glucose

ChEBI ID	CHEBI:136559

ChEBI ASCII Name	2-galloyl-D-glucose

Definition	An O-acyl carbohydrate obtained by formal condensation of the carboxy group of gallic acid with the 2-hydroxy group of D-glucose.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

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Formula

C13H16O10

Net Charge

Average Mass

332.261

Monoisotopic Mass

332.07435

InChI

InChI=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

InChIKey

NBZMHIIBAFCDKV-RBLKWDMZSA-N

SMILES

C(=O)([C@H](OC(C=1C=C(C(=C(C1)O)O)O)=O)[C@@H](O)[C@H](O)[C@H](O)CO)[H]

Metabolite of Species	Details
Camellia sinensis (NCBI:txid4442)	See: MetaboLights Study

Roles Classification
Biological Role(s):	Camellia sinensis metabolite Any plant metabolite that is produced by Camellia sinensis.

ChEBI Ontology
Outgoing	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-galloylglucose	ChEBI

Registry Number	Type	Source
29664847	Reaxys Registry Number	Reaxys

Last Modified

16 February 2018