input word = C00037833

Metabolite InformationStructural formula
Name Solaculine A
(-)-Solaculine A
Formula C50H81NO19
Mw 999.54027941
CAS RN 408345-39-1
C_ID C00037833 ,
InChIKey RMXBEFPNQXHZDG-DYSSVQOZNA-N
InChICode InChI=1S/C50H81NO19/c1-20-9-14-50(51-17-20)21(2)32-30(70-50)16-28-26-8-7-24-15-25(10-12-48(24,5)27(26)11-13-49(28,32)6)65-47-43(69-45-39(60)36(57)33(54)22(3)63-45)40(61)41(31(18-52)66-47)67-46-42(37(58)34(55)23(4)64-46)68-44-38(59)35(56)29(53)19-62-44/h7,20-23,25-47,51-61H,8-19H2,1-6H3/t20-,21-,22-,23-,25-,26+,27-,28-,29+,30-,31+,32-,33-,34-,35-,36+,37+,38+,39+,40-,41+,42+,43+,44-,45-,46-,47+,48-,49-,50-/m0/s1
SMILES C1[C@@H](CC2=CC[C@@H]3[C@@H]([C@]2(C1)C)CC[C@]1([C@H]3C[C@H]2[C@@H]1[C@@H]([C@]1(O2)NC[C@H](CC1)C)C)C)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[C@@H]1OC[C@H]([C@@H]([C@H]1O)O)O)CO
Start Substs in Alk. Biosynthesis (Prediction) L-Arg Cholesterol
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeSolanum aculeastrum Dunal Ref.
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