input word = C00056282

Metabolite InformationStructural formula
Name Wilforsinine G
Formula C40H42N2O13
Mw 758.26868944
CAS RN 1325666-17-8
C_ID C00056282
InChIKey NSUICWXYGYGHDA-KDWNUUKNSA-N
InChICode InChI=1S/C40H42N2O13/c1-22-18-29(50-23(2)43)32(51-24(3)44)39(21-49-35(46)27-14-10-16-41-19-27)34(54-36(47)26-12-8-7-9-13-26)31(53-37(48)28-15-11-17-42-20-28)30-33(52-25(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)OC1[C@H]2[C@@H](OC(=O)c3cccnc3)[C@@H](OC(=O)c3ccccc3)[C@]3(COC(=O)c4cccnc4)[C@@H](OC(C)=O)[C@@H](OC(C)=O)C[C@@H](C)[C@@]13OC2(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCelastraceaeTripterygium wilfordii Ref.
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