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 C1[C@@H](C([C@H]2[C@]3(C1)[C@]1([C@@H](C[C@@H]2O[C@@H]2O[C@@H]([C@H]([C@@H]([C@H]2O)O)O)CO)[C@]2([C@](CC1)([C@H]([C@H](C2)OC(=O)C)[C@]1(C)O[C@@H](CC1)C(C)(O)C)C)C)C3)(C)C)O[C@@H]1OC[C@H]([C@@H]([C@H]1OC(=O)C)OC(=O)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeAstragalus trojanus Ref.
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