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CHEBI:194552 - 1-O-Benzoylhexopyranose

ChEBI IDCHEBI:194552
ChEBI Name1-O-Benzoylhexopyranose
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SubmitterMetaboLights
DownloadsMolfile
FormulaC13H16O7
Net Charge0
Average Mass284.264
Monoisotopic Mass284.08960
SMILESO=C(OC1OC(CO)C(O)C(O)C1O)c1ccccc1
WURCSWURCS=2.0/1,1,0/[axxxxh-1x_1-5_1*OC(CCCCCC$4)/3=O]/1/
InChIInChI=1S/C13H16O7/c14-6-8-9(15)10(16)11(17)13(19-8)20-12(18)7-4-2-1-3-5-7/h1-5,8-11,13-17H,6H2
InChIKeyLVFCLUMIBMHAFL-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
1-O-Benzoylhexopyranose (CHEBI:194552) is a hexose (CHEBI:18133)
IUPAC Name 
[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] benzoate
Manual XrefsDatabases
278164ChemSpider