input word = C00019214

Metabolite InformationStructural formula
Name Torvoside H
Formula C45H74O18
Mw 902.48751556
CAS RN 438050-68-1
C_ID C00019214 ,
InChIKey DPXGNIHBGKCXMA-DIVCJQLCNA-N
InChICode InChI=1S/C45H74O18/c1-18(17-57-40-36(53)35(52)33(50)29(16-46)61-40)7-12-45(56)19(2)30-28(63-45)15-25-23-14-27(26-13-22(47)8-10-43(26,5)24(23)9-11-44(25,30)6)60-42-38(55)39(32(49)21(4)59-42)62-41-37(54)34(51)31(48)20(3)58-41/h18-21,23-42,46,48-56H,7-17H2,1-6H3/t18-,19-,20-,21+,23+,24-,25-,26+,27-,28-,29+,30-,31-,32+,33+,34+,35-,36+,37-,38+,39-,40+,41-,42-,43+,44-,45+/m0/s1
SMILES CC1O[C@@H](O[C@H]2C[C@@H]3[C@H](CC[C@]4(C)[C@@H]5[C@H](C[C@@H]34)OC(O)(CC[C@H](C)CO[C@@H]3OC(CO)[C@@H](O)[C@H](O)C3O)[C@H]5C)[C@@]3(C)CCC(=O)C[C@H]23)C(O)[C@@H](O[C@@H]2OC(C)[C@H](O)[C@@H](O)C2O)[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeSolanum nigrum Ref.
PlantaeSolanaceaeSolanum torvum Ref.
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