input word = C00046518

Metabolite InformationStructural formula
Name Wilfornine G
Formula C42H48N2O18
Mw 868.29021275
CAS RN 345954-06-5
C_ID C00046518 ,
InChIKey WYGMSWSZNDHDMQ-UHFFFAOYNA-N
InChICode InChI=1S/C42H48N2O18/c1-19-20(2)36(50)61-33-31(56-22(4)46)35(59-25(7)49)41(18-54-21(3)45)34(58-24(6)48)30(60-37(51)26-12-10-14-43-16-26)28-32(57-23(5)47)42(41,40(33,9)53)62-39(28,8)17-55-38(52)27-13-11-15-44-29(19)27/h10-16,19-20,28,30-35,53H,17-18H2,1-9H3/t19-,20-,28+,30+,31+,32+,33+,34-,35-,39+,40-,41+,42-/m1/s1
SMILES [C@H]1([C@@]23[C@]([C@@H]4[C@@H]([C@H]([C@@]2([C@@H]([C@H]([C@@H]1[C@@](O3)(COC(=O)c1c([C@@H]([C@H](C(=O)O4)C)C)nccc1)C)OC(=O)c1cnccc1)OC(=O)C)COC(=O)C)OC(=O)C)OC(=O)C)(C)O)OC(=O)C
Start Substs in Alk. Biosynthesis (Prediction) L-Asp IPP L-His
Organism
Kingdom Family Species Reference
PlantaeCelastraceaeTripterygium wilfordii Ref.
zoom in