input word = C00033448

Metabolite InformationStructural formula
Name Trojanoside C
(-)-Trojanoside C
Formula C47H80O18
Mw 932.53446575
CAS RN 223924-12-7
C_ID C00033448 ,
InChIKey SHIGTQDQPXBPIW-PFKPMIDVNA-N
InChICode InChI=1S/C47H80O18/c1-20(9-10-28(43(5,6)59)64-40-36(58)34(56)32(54)25(17-48)62-40)29-23(50)16-45(8)26-15-22(49)38-42(3,4)27(11-12-47(38)19-46(26,47)14-13-44(29,45)7)63-41-37(31(53)24(51)18-60-41)65-39-35(57)33(55)30(52)21(2)61-39/h20-41,48-59H,9-19H2,1-8H3/t20-,21+,22+,23+,24-,25-,26+,27+,28-,29+,30+,31+,32+,33-,34+,35-,36-,37-,38+,39+,40+,41+,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@]2([C@](CC1)([C@H]([C@H](C2)O)[C@@H](CC[C@H](C(C)(O)C)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)C)C)C)C3)(C)C)O[C@@H]1OC[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
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeAstragalus trojanus Ref.
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