input word = C00033454

Metabolite InformationStructural formula
Name Trojanoside J
Formula C50H80O19
Mw 984.52938038
CAS RN 386273-43-4
C_ID C00033454 ,
InChIKey OMSRQZAODQUOIO-MADWXGEINA-N
InChICode InChI=1S/C50H80O19/c1-22-32(55)34(57)36(59)42(63-22)68-38-37(65-24(3)52)28(64-23(2)51)20-62-43(38)67-30-12-14-50-21-49(50)16-15-46(8)39(48(10)13-11-31(69-48)45(6,7)60)25(53)18-47(46,9)29(49)17-27(40(50)44(30,4)5)66-41-35(58)33(56)26(54)19-61-41/h22,25-43,53-60H,11-21H2,1-10H3/t22-,25-,26+,27-,28+,29-,30-,31-,32-,33-,34+,35+,36+,37-,38+,39-,40-,41-,42-,43-,46+,47-,48+,49-,50+/m0/s1
SMILES C1[C@@H](C([C@H]2[C@]3(C1)[C@]1([C@@H](C[C@@H]2O[C@@H]2OC[C@H]([C@@H]([C@H]2O)O)O)[C@]2([C@](CC1)([C@H]([C@H](C2)O)[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]1O[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O)O)O)OC(=O)C)OC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeAstragalus trojanus Ref.
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