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CHEBI:137511 - 3'-acetylsalicortin

ChEBI IDCHEBI:137511
ChEBI Name3'-acetylsalicortin
Stars
Last Modified22 June 2017
Submittermwilliams
DownloadsMolfile
FormulaC22H26O11
Net Charge0
Average Mass466.439
Monoisotopic Mass466.14751
SMILESCC(=O)O[C@@H]1[C@@H](O)[C@H](Oc2ccccc2COC(=O)[C@]2(O)C=CCCC2=O)O[C@H](CO)[C@H]1O
InChIInChI=1S/C22H26O11/c1-12(24)31-19-17(26)15(10-23)33-20(18(19)27)32-14-7-3-2-6-13(14)11-30-21(28)22(29)9-5-4-8-16(22)25/h2-3,5-7,9,15,17-20,23,26-27,29H,4,8,10-11H2,1H3/t15-,17-,18-,19+,20-,22+/m1/s1
InChIKeyKRIAUZJQJJBBBE-LDSJNNAZSA-N
ChEBI Ontology
Outgoing Relation(s)
3'-acetylsalicortin (CHEBI:137511) is a glycoside (CHEBI:24400)
IUPAC Name 
{2-[(3-O-acetyl-β-D-glucopyranosyl)oxy]phenyl}methyl (1S)-1-hydroxy-6-oxocyclohex-2-ene-1-carboxylate