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CHEBI:137512 - 6'-acetylsalicortin

ChEBI IDCHEBI:137512
ChEBI Name6'-acetylsalicortin
Stars
Last Modified22 June 2017
Submittermwilliams
DownloadsMolfile
FormulaC22H26O11
Net Charge0
Average Mass466.439
Monoisotopic Mass466.14751
SMILESCC(=O)OC[C@H]1O[C@@H](Oc2ccccc2COC(=O)[C@]2(O)C=CCCC2=O)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C22H26O11/c1-12(23)30-11-15-17(25)18(26)19(27)20(33-15)32-14-7-3-2-6-13(14)10-31-21(28)22(29)9-5-4-8-16(22)24/h2-3,5-7,9,15,17-20,25-27,29H,4,8,10-11H2,1H3/t15-,17-,18+,19-,20-,22+/m1/s1
InChIKeyXKDVCCKHSSFODT-OILANYPGSA-N
ChEBI Ontology
Outgoing Relation(s)
6'-acetylsalicortin (CHEBI:137512) is a glycoside (CHEBI:24400)
Synonym  Source
{2-[(6-O-acetyl-β-D-glucopyranosyl)oxy]phenyl}methyl (1S)-1-hydroxy-6-oxocyclohex-2-ene-1-carboxylateChEBI