input word = C00056280

Metabolite InformationStructural formula
Name Wilforsinine E
Formula C40H42N2O13
Mw 758.26868944
CAS RN 1325666-14-5
C_ID C00056280
InChIKey BVGONSZWSDQFPG-NUVOROENSA-N
InChICode InChI=1S/C40H42N2O13/c1-22-18-29(52-35(46)26-12-8-7-9-13-26)32(53-36(47)27-14-10-16-41-19-27)39(21-49-23(2)43)34(54-37(48)28-15-11-17-42-20-28)31(50-24(3)44)30-33(51-25(4)45)40(22,39)55-38(30,5)6/h7-17,19-20,22,29-34H,18,21H2,1-6H3/t22-,29+,30-,31-,32+,33+,34-,39+,40-/m1/s1
SMILES CC(=O)OC[C@]12[C@H](OC(=O)c3cccnc3)[C@H](OC(C)=O)[C@@H]3[C@H](OC(C)=O)[C@]1(OC3(C)C)[C@H](C)C[C@H](OC(=O)c1ccccc1)[C@@H]2OC(=O)c1cccnc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCelastraceaeTripterygium wilfordii Ref.
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