input word = C00055650

Metabolite InformationStructural formula
Name 2'-O-acetylsalicortin
Formula C22H26O11
Mw 466.14751167
CAS RN 113270-30-7
C_ID C00055650
InChIKey IUXQFJTWMSIYNY-HPSGFCEASA-N
InChICode InChI=1S/C22H26O11/c1-12(24)31-19-18(27)17(26)15(10-23)33-20(19)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
SMILES CC(=O)O[C@H]1[C@H](Oc2ccccc2COC(=O)C2(O)C=CCCC2=O)O[C@H](CO)[C@@H](O)[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSalicaceaeSalix lasiandra Ref.
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OrganismSalix lasiandra
ReferenceBoeckler, G. A. et al., Phytochemistry, 72, (2011), 1497-1509.