input word = C00034204

Metabolite InformationStructural formula
Name Russelioside E
(-)-Russelioside E
Formula C57H86O21
Mw 1106.56615981
CAS RN 942061-17-8
C_ID C00034204 ,
InChIKey JGMHNSHUSYJBDP-JNIVAUTGNA-N
InChICode InChI=1S/C57H86O21/c1-27(69-31(5)59)35-19-21-57(65)36-17-16-33-22-34(18-20-55(33,6)37(36)23-41(56(35,57)7)75-52(64)32-14-12-11-13-15-32)73-42-24-38(66-8)48(28(2)70-42)76-43-25-39(67-9)49(29(3)71-43)77-54-47(63)51(68-10)50(30(4)72-54)78-53-46(62)45(61)44(60)40(26-58)74-53/h11-16,27-30,34-51,53-54,58,60-63,65H,17-26H2,1-10H3/t27-,28-,29-,30-,34+,35-,36-,37+,38+,39+,40-,41-,42+,43+,44+,45+,46-,47-,48-,49-,50-,51-,53+,54+,55+,56+,57+/m1/s1
SMILES C1[C@@H](CC2=CC[C@@H]3[C@@H]([C@]2(C1)C)C[C@H]([C@]1([C@@]3(CC[C@@H]1[C@@H](C)OC(=O)C)O)C)OC(=O)c1ccccc1)O[C@@H]1O[C@@H]([C@H]([C@H](C1)OC)O[C@H]1C[C@@H]([C@@H]([C@H](O1)C)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)OC)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)C)OC)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeCaralluma russeliana Ref.
PlantaeApocynaceaeCaralluma tuberculata Ref.
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OrganismCaralluma tuberculata
ReferenceAbdel-Sattar,Phytochem.,69,(2008),2180