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 CC(C)(O)[C@@H]1CC[C@](C)([C@H]2[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C[C@@]3(C)[C@@H]4C[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@H]5C(C)(C)[C@@H](O[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O)CC[C@@]56C[C@@]46CC[C@]23C)O1
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