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CHEBI:137977 - α-O-salicyloylsalicin

ChEBI IDCHEBI:137977
ChEBI Nameα-O-salicyloylsalicin
Stars
ASCII Namealpha-O-salicyloylsalicin
Last Modified25 July 2017
Submittermwilliams
DownloadsMolfile
FormulaC20H22O9
Net Charge0
Average Mass406.387
Monoisotopic Mass406.12638
SMILESO=C(OCc1ccccc1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1O
InChIInChI=1S/C20H22O9/c21-9-15-16(23)17(24)18(25)20(29-15)28-14-8-4-1-5-11(14)10-27-19(26)12-6-2-3-7-13(12)22/h1-8,15-18,20-25H,9-10H2/t15-,16-,17+,18-,20+/m1/s1
InChIKeyYHBIHSCTXBGAIK-NUABRCLCSA-N
ChEBI Ontology
Outgoing Relation(s)
α-O-salicyloylsalicin (CHEBI:137977) is a glycoside (CHEBI:24400)
Synonym  Source
2-O-salicyloylsalicinChEBI