input word = C00034041

Metabolite InformationStructural formula
Name Lyconoside III
(-)-Lyconoside III
Formula C45H72O18
Mw 900.4718655
CAS RN 1032750-71-2
C_ID C00034041 ,
InChIKey XNHZDPAJXHYTSI-BJMYZVIENA-N
InChICode InChI=1S/C45H72O18/c1-18-8-11-45(56-17-18)19(2)30-26(63-45)13-25-23-7-6-21-12-22(9-10-43(21,4)24(23)14-29(48)44(25,30)5)58-42-39(62-40-36(54)34(52)31(49)20(3)57-40)38(33(51)28(16-47)60-42)61-41-37(55)35(53)32(50)27(15-46)59-41/h6,18-20,22-42,46-55H,7-17H2,1-5H3/t18-,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)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[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeSolanum lycocarpum Ref.
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