input word = C00056278

Metabolite InformationStructural formula
Name Wilforsinine C
Formula C40H44N2O15
Mw 792.27416875
CAS RN 1325666-09-8
C_ID C00056278
InChIKey FTNRMWHCQMJYQV-ZSCIKPCUSA-N
InChICode InChI=1S/C40H44N2O15/c1-21(2)33(45)51-20-39-30(55-35(47)25-11-9-14-42-18-25)27(52-22(3)43)16-38(7,49)40(39)31(53-23(4)44)28(37(5,6)57-40)29(54-34(46)24-10-8-13-41-17-24)32(39)56-36(48)26-12-15-50-19-26/h8-15,17-19,21,27-32,49H,16,20H2,1-7H3/t27-,28+,29+,30-,31+,32+,38-,39-,40-/m0/s1
SMILES CC(=O)OC1[C@H]2[C@@H](OC(=O)c3cccnc3)[C@@H](OC(=O)c3ccoc3)[C@]3(COC(=O)C(C)C)[C@@H](OC(=O)c4cccnc4)[C@@H](OC(C)=O)C[C@](C)(O)[C@@]13OC2(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCelastraceaeTripterygium wilfordii Ref.
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