input word = C00041863

Metabolite InformationStructural formula
Name Sessiloside
Formula C48H76O18
Mw 940.50316563
CAS RN 874198-11-5
C_ID C00041863 ,
InChIKey UPYSQKFKPGNSIY-ZIYLGNPLNA-N
InChICode InChI=1S/C48H76O18/c1-21(2)24-11-16-48(18-17-46(7)26(31(24)48)9-10-29-45(6,14-13-30(50)51)25(22(3)4)12-15-47(29,46)8)44(60)66-43-38(58)35(55)33(53)28(64-43)20-61-41-39(59)36(56)40(27(19-49)63-41)65-42-37(57)34(54)32(52)23(5)62-42/h23-29,31-43,49,52-59H,1,3,9-20H2,2,4-8H3,(H,50,51)/t23-,24-,25-,26+,27+,28+,29+,31-,32-,33+,34+,35-,36+,37+,38+,39+,40+,41+,42-,43-,45+,46+,47+,48-/m0/s1
SMILES C1[C@@]2([C@@H]([C@H]3[C@@](C1)(CC[C@H]3C(=C)C)C(=O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]1O[C@H]([C@@H]([C@H]([C@H]1O)O)O)C)O)O)CC[C@H]1[C@]2(CC[C@H]([C@]1(CCC(=O)O)C)C(=C)C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAraliaceaeAcanthopanax senticosus Ref.
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OrganismAcanthopanax senticosus
ReferenceJiang,J.Nat.Prod.,69,(2006),1577