input word = C00033453

Metabolite InformationStructural formula
Name Trojanoside I
Formula C47H74O17
Mw 910.49260094
CAS RN 386273-42-3
C_ID C00033453 ,
InChIKey GZJSPFHGRIJXBF-OYRNISFFNA-N
InChICode InChI=1S/C47H74O17/c1-22(49)58-27-18-44(9)29-17-26(61-39-34(55)33(54)32(53)28(19-48)62-39)37-41(4,5)30(63-40-36(60-24(3)51)35(59-23(2)50)25(52)20-57-40)12-14-47(37)21-46(29,47)16-15-43(44,8)38(27)45(10)13-11-31(64-45)42(6,7)56/h25-40,48,52-56H,11-21H2,1-10H3/t25-,26+,27+,28-,29+,30+,31+,32-,33+,34-,35+,36-,37+,38+,39-,40+,43-,44+,45-,46+,47-/m1/s1
SMILES CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@H](O[C@H]2CC[C@]34C[C@]35CC[C@]3(C)[C@@H]([C@@]6(C)CC[C@@H](C(C)(C)O)O6)[C@@H](OC(C)=O)C[C@@]3(C)[C@@H]5C[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]4C2(C)C)OC[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeAstragalus trojanus Ref.
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