input word = C00034247

Metabolite InformationStructural formula
Name Shatavarin X
(-)-Shatavarin X
Formula C47H76O18
Mw 928.50316563
CAS RN 1010395-68-2
C_ID C00034247 ,
InChIKey QPCXNOOIVSKVLM-TWLHICKYNA-N
InChICode InChI=1S/C47H76O18/c1-20-9-14-47(58-18-20)21(2)32-29(65-47)16-28-26-8-7-24-15-25(10-12-45(24,5)27(26)11-13-46(28,32)6)60-44-41(64-42-37(54)35(52)33(50)22(3)59-42)39(56)40(30(17-48)61-44)63-43-38(55)36(53)34(51)31(62-43)19-57-23(4)49/h20-22,24-44,48,50-56H,7-19H2,1-6H3/t20-,21-,22-,24+,25-,26+,27-,28-,29-,30+,31+,32-,33-,34+,35+,36-,37+,38+,39-,40+,41+,42-,43-,44+,45-,46-,47+/m0/s1
SMILES C1[C@@H](C[C@@H]2[C@](C1)([C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@@H]1[C@H](C2)O[C@]2([C@H]1C)OC[C@H](CC2)C)C)C)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC(=O)C)O)O)O)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsparagaceaeAsparagus racemosus Ref.
zoom in



OrganismAsparagus racemosus
ReferenceHayes,Phytochem.,69,(2008),796