input word = C00034040

Metabolite InformationStructural formula
Name Lyconoside II
(-)-Lyconoside II
Formula C45H72O17
Mw 884.47695088
CAS RN 1032750-67-6
C_ID C00034040 ,
InChIKey XWDJUMNVGYGEDP-WJRMCMAMNA-N
InChICode InChI=1S/C45H72O17/c1-18-9-12-45(55-17-18)19(2)30-27(62-45)14-26-24-8-7-22-13-23(10-11-43(22,5)25(24)15-29(47)44(26,30)6)58-42-39(61-41-36(53)34(51)32(49)21(4)57-41)37(54)38(28(16-46)59-42)60-40-35(52)33(50)31(48)20(3)56-40/h7,18-21,23-42,46-54H,8-17H2,1-6H3/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-/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)OC[C@@H](CC1)C)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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