input word = C00056279

Metabolite InformationStructural formula
Name Wilforsinine D
Formula C36H41NO13
Mw 695.25779041
CAS RN 1325666-10-1
C_ID C00056279
InChIKey MBCIWOHYWHUOEX-AENNFLLLSA-N
InChICode InChI=1S/C36H41NO13/c1-19-16-26(45-21(3)39)29(48-33(43)25-14-11-15-37-17-25)35(18-44-20(2)38)31(49-32(42)24-12-9-8-10-13-24)28(46-22(4)40)27-30(47-23(5)41)36(19,35)50-34(27,6)7/h8-15,17,19,26-31H,16,18H2,1-7H3/t19-,26+,27-,28-,29+,30+,31+,35+,36-/m1/s1
SMILES CC(=O)OC[C@]12[C@@H](OC(=O)c3ccccc3)[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(C)=O)[C@@H]2OC(=O)c1cccnc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCelastraceaeTripterygium wilfordii Ref.
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OrganismTripterygium wilfordii
ReferenceLv, H. et al., Fitoterapia, 137, (2019), 104190.