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CHEBI:137484 - 6'-O-acetylsalicin

ChEBI IDCHEBI:137484
ChEBI Name6'-O-acetylsalicin
Stars
ASCII Name6'-O-acetylsalicin
Last Modified20 June 2017
Submittermwilliams
DownloadsMolfile
FormulaC15H20O8
Net Charge0
Average Mass328.317
Monoisotopic Mass328.11582
SMILESCC(=O)OC[C@H]1O[C@@H](Oc2ccccc2CO)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C15H20O8/c1-8(17)21-7-11-12(18)13(19)14(20)15(23-11)22-10-5-3-2-4-9(10)6-16/h2-5,11-16,18-20H,6-7H2,1H3/t11-,12-,13+,14-,15-/m1/s1
InChIKeyIERQJNGBILWLCY-UXXRCYHCSA-N
ChEBI Ontology
Outgoing Relation(s)
6'-O-acetylsalicin (CHEBI:137484) has functional parent salicin (CHEBI:17814)
6'-O-acetylsalicin (CHEBI:137484) is a aryl β-D-glucoside (CHEBI:28749)
IUPAC Name 
2-(hydroxymethyl)phenyl 6-O-acetyl-β-D-glucopyranoside