input word = C00034039

Metabolite InformationStructural formula
Name Lyconoside Ib
(-)-Lyconoside Ib
Formula C45H72O18
Mw 900.4718655
CAS RN 1032750-51-8
C_ID C00034039 ,
InChIKey MWTJVBOEJQIILT-QUGLVFATNA-N
InChICode InChI=1S/C45H72O18/c1-17-9-12-45(63-39(17)55)18(2)29-26(62-45)14-25-23-8-7-21-13-22(10-11-43(21,5)24(23)15-28(47)44(25,29)6)58-42-38(61-41-35(53)33(51)31(49)20(4)57-41)36(54)37(27(16-46)59-42)60-40-34(52)32(50)30(48)19(3)56-40/h7,17-20,22-42,46-55H,8-16H2,1-6H3/t17-,18+,19+,20+,22+,23-,24+,25+,26+,27-,28-,29+,30+,31+,32-,33-,34-,35-,36+,37+,38-,39-,40+,41+,42-,43+,44-,45+/m1/s1
SMILES C1[C@@H](CC2=CC[C@@H]3[C@@H]([C@]2(C1)C)C[C@H]([C@]1([C@H]3C[C@H]2[C@@H]1[C@@H]([C@@]1(O2)O[C@H]([C@@H](CC1)C)O)C)C)O)O[C@@H]1O[C@@H]([C@@H]([C@@H]([C@H]1O[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O)O)O)O)O[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O)O)O)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeSolanum lycocarpum Ref.
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