input word = C00057804

Metabolite InformationStructural formula
Name Torvoside O
Formula C46H76O19
Mw 932.49808025
CAS RN 1186496-44-5
C_ID C00057804
InChIKey TVOVIGSDFPPMRP-HXYBIYPQSA-N
InChICode InChI=1S/C46H76O19/c1-20(18-59-41-38(55)35(52)32(49)28(16-47)62-41)8-13-46(58-5)21(2)31-27(65-46)15-26-24-7-6-22-14-23(9-11-44(22,3)25(24)10-12-45(26,31)4)61-43-40(57)37(54)34(51)30(64-43)19-60-42-39(56)36(53)33(50)29(17-48)63-42/h6,20-21,23-43,47-57H,7-19H2,1-5H3/t20-,21-,23-,24+,25-,26-,27-,28+,29+,30+,31-,32+,33+,34+,35-,36-,37-,38+,39+,40+,41+,42+,43+,44-,45-,46+/m0/s1
SMILES CO[C@]1(CC[C@H](C)CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O[C@H]2C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@@H](O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2[C@@H]1C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeSolanum torvum Ref.
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