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 C1C(=O)C[C@H]2[C@](C1)([C@@H]1[C@@H](C[C@@H]2O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O)O[C@@H]2O[C@H]([C@@H]([C@H]([C@@H]2O)O)O)C)O)[C@H]2[C@](CC1)([C@@H]1[C@H](C2)O[C@@]([C@H]1C)(CC[C@@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)C)O)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeSolanum nigrum Ref.
PlantaeSolanaceaeSolanum torvum Ref.
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