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

ChEBI IDCHEBI:168049
ChEBI Name2-O-Benzoyl-D-glucose
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H16O7
Net Charge0
Average Mass284.264
Monoisotopic Mass284.08960
SMILESO=C(OC1C(O)OC(CO)C(O)C1O)c1ccccc1
WURCSWURCS=2.0/1,1,0/[axxxxh-1x_1-5_2*OC(CCCCCC$4)/3=O]/1/
InChIInChI=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
InChIKeyRIDPBVGJGNVNFX-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
2-O-Benzoyl-D-glucose (CHEBI:168049) is a hexose (CHEBI:18133)
IUPAC Name 
[2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl] benzoate
Manual XrefsDatabases
HMDB0034618HMDB
15225620ChemSpider