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 CC(=O)OCC12C(OC(C)=O)C(OC(C)=O)C3C(O)C14OC3(C)COC(=O)c1cccnc1CCC(C)(OC(=O)c1ccccc1)C(=O)OC(C(OC(C)=O)C2OC(C)=O)C4(C)O
Start Substs in Alk. Biosynthesis (Prediction) L-Asp L-His
Organism
Kingdom Family Species Reference
PlantaeCelastraceaeTripterygium wilfordii Ref.
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