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CHEBI:137482 - 3'-O-acetylsalicin

ChEBI IDCHEBI:137482
ChEBI Name3'-O-acetylsalicin
Stars
ASCII Name3'-O-acetylsalicin
Last Modified20 June 2017
Submittermwilliams
DownloadsMolfile
FormulaC15H20O8
Net Charge0
Average Mass328.317
Monoisotopic Mass328.11582
SMILESCC(=O)O[C@@H]1[C@@H](O)[C@H](Oc2ccccc2CO)O[C@H](CO)[C@H]1O
InChIInChI=1S/C15H20O8/c1-8(18)21-14-12(19)11(7-17)23-15(13(14)20)22-10-5-3-2-4-9(10)6-16/h2-5,11-17,19-20H,6-7H2,1H3/t11-,12-,13-,14+,15-/m1/s1
InChIKeyBWTUAYQDFBDCQV-ARILJUKYSA-N
ChEBI Ontology
Outgoing Relation(s)
3'-O-acetylsalicin (CHEBI:137482) has functional parent salicin (CHEBI:17814)
3'-O-acetylsalicin (CHEBI:137482) is a aryl β-D-glucoside (CHEBI:28749)
IUPAC Name 
2-(hydroxymethyl)phenyl 3-O-acetyl-β-D-glucopyranoside