input word = C00046516

Metabolite InformationStructural formula
Name Wilfornine E
Formula C36H43NO18
Mw 777.24801358
CAS RN 345954-04-3
C_ID C00046516 ,
InChIKey FUYMUDYPTJUYIB-UHFFFAOYNA-N
InChICode InChI=1S/C36H43NO18/c1-16(38)48-15-35-27(52-19(4)41)24(43)23-26(51-18(3)40)36(35)34(8,47)28(25(50-17(2)39)29(35)53-20(5)42)54-31(45)32(6,46)12-11-22-21(10-9-13-37-22)30(44)49-14-33(23,7)55-36/h9-10,13,23,25-29,46-47H,11-12,14-15H2,1-8H3/t23-,25+,26+,27-,28+,29+,32-,33+,34-,35-,36+/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](C2=O)OC(=O)C)COC(=O)C)OC(=O)C)OC(=O)C)(O)C)C)OC(=O)C
Start Substs in Alk. Biosynthesis (Prediction) L-Asp L-His
Organism
Kingdom Family Species Reference
PlantaeCelastraceaeTripterygium wilfordii Ref.
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