input word = C00034038

Metabolite InformationStructural formula
Name Lyconoside Ia
(-)-Lyconoside Ia
Formula C46H74O18
Mw 914.48751556
CAS RN 1032750-41-6
C_ID C00034038 ,
InChIKey WLVZTRYJBHPIOC-HZPXWINWNA-N
InChICode InChI=1S/C46H74O18/c1-18-10-13-46(64-40(18)56-7)19(2)30-27(63-46)15-26-24-9-8-22-14-23(11-12-44(22,5)25(24)16-29(48)45(26,30)6)59-43-39(62-42-36(54)34(52)32(50)21(4)58-42)37(55)38(28(17-47)60-43)61-41-35(53)33(51)31(49)20(3)57-41/h8,18-21,23-43,47-55H,9-17H2,1-7H3/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-,46+/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)OC)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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OrganismSolanum lycocarpum
ReferenceNakamura,Phytochem.,69,(2008),1565