input word = C00033455

Metabolite InformationStructural formula
Name Trojanoside K
Formula C47H78O19
Mw 946.51373031
CAS RN 386273-44-5
C_ID C00033455 ,
InChIKey QTEHQCHWMXVZLP-TYTLHTQQNA-N
InChICode InChI=1S/C47H78O19/c1-41(2)26(65-38-33(56)28(51)20(50)18-60-38)9-11-47-19-46(47)13-12-43(5)37(45(7)10-8-27(66-45)42(3,4)59)22(62-40-35(58)32(55)30(53)24(17-49)64-40)15-44(43,6)25(46)14-21(36(41)47)61-39-34(57)31(54)29(52)23(16-48)63-39/h20-40,48-59H,8-19H2,1-7H3/t20-,21+,22+,23-,24-,25+,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)O[C@@H]1O[C@@H]([C@@H]([C@@H]([C@H]1O)O)O)CO)[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)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