2-O-Benzoyl-D-glucose (CHEBI:168049)

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	2-O-Benzoyl-D-glucose

ChEBI ID	CHEBI:168049

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C13H16O7

Net Charge

Average Mass

284.264

Monoisotopic Mass

284.08960

InChI

InChI=1S/C13H16O7/c14-6-8-9(15)10(16)11(13(18)19-8)20-12(17)7-4-2-1-3-5-7/h1-5,8-11,13-16,18H,6H2

InChIKey

RIDPBVGJGNVNFX-UHFFFAOYSA-N

SMILES

O1C(C(O)C(O)C(OC(=O)C2=CC=CC=C2)C1O)CO

Metabolite of Species	Details
Malus domestica (NCBI:txid3750)	Found in exocarp (BTO:0000733). of strain Malus x domestica Borkh. cv. Ruixue See: MetaboLights Study

ChEBI Ontology
Outgoing	2-O-Benzoyl-D-glucose (CHEBI:168049) is a hexose (CHEBI:18133)

IUPAC Name

[2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl] benzoate