input word = C00046513

Metabolite InformationStructural formula
Name Wilfornine B
Formula C43H49NO19
Mw 883.28987839
CAS RN 345954-01-0
C_ID C00046513 ,
InChIKey VMWSZLNWXFHOTG-UHFFFAOYNA-N
InChICode InChI=1S/C43H49NO19/c1-21(45)55-20-42-34(59-24(4)48)30(57-22(2)46)29-32(50)43(42)41(8,54)33(31(58-23(3)47)35(42)60-25(5)49)61-38(53)39(6,62-36(51)26-13-10-9-11-14-26)17-16-28-27(15-12-18-44-28)37(52)56-19-40(29,7)63-43/h9-15,18,29-35,50,54H,16-17,19-20H2,1-8H3/t29-,30+,31-,32+,33+,34-,35+,39-,40-,41-,42-,43+/m0/s1
SMILES [C@H]1([C@H]2[C@@]3(COC(=O)c4cccnc4CC[C@@](C(=O)O[C@@H]4[C@@H]([C@H]([C@@]([C@]1(O3)[C@]4(O)C)([C@H]([C@@H]2OC(=O)C)OC(=O)C)COC(=O)C)OC(=O)C)OC(=O)C)(OC(=O)c1ccccc1)C)C)O
Start Substs in Alk. Biosynthesis (Prediction) L-Asp L-His
Organism
Kingdom Family Species Reference
PlantaeCelastraceaeTripterygium wilfordii Ref.
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