input word = C00033452

Metabolite InformationStructural formula
Name Trojanoside H
(+)-Trojanoside H
Formula C46H76O18
Mw 916.50316563
CAS RN 244630-00-0
C_ID C00033452 ,
InChIKey VDLLVXHQXOOBCW-OLYUOQQZNA-N
InChICode InChI=1S/C46H76O18/c1-40(2)26(62-39-34(29(52)22(50)18-59-39)63-37-32(55)28(51)21(49)17-58-37)9-11-46-19-45(46)13-12-42(5)35(44(7)10-8-27(64-44)41(3,4)57)20(48)15-43(42,6)25(45)14-23(36(40)46)60-38-33(56)31(54)30(53)24(16-47)61-38/h20-39,47-57H,8-19H2,1-7H3/t20-,21-,22+,23-,24+,25-,26-,27-,28+,29-,30-,31-,32+,33+,34+,35-,36-,37-,38+,39-,42+,43-,44+,45-,46+/m0/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)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](CO1)O)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeAstragalus trojanus Ref.
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OrganismAstragalus trojanus
ReferenceBedier,Chem.Pharm.Bull.,49,(2001),1482