input word = C00058631

Metabolite InformationStructural formula
Name Nimbolidin E
Formula C41H54O12
Mw 738.36152719
CAS RN 169056-28-4
C_ID C00058631
InChIKey SZFHJFQBAFXSCJ-LHAQRTCHSA-N
InChICode InChI=1S/C40H54O12/c1-12-21(4)37(45)51-30-17-29(50-24(7)42)38(8)19-48-33-34(38)39(30,9)28(16-31(43)46-11)40(10,35(33)52-36(44)20(2)3)32-22(5)26(25-13-14-47-18-25)15-27(32)49-23(6)41/h12-14,18,20,26-30,33-35H,15-17,19H2,1-11H3/b21-12+/t26-,27+,28-,29-,30+,33-,34+,35-,38-,39+,40-/m1/s1
SMILES C/C=C(C)C(=O)O[C@H]1C[C@@H](OC(C)=O)[C@@]2(C)CO[C@H]3[C@@H](OC(=O)C(C)C)[C@@](C)(C4=C(C)[C@H](c5ccoc5)C[C@@H]4OC(C)=O)[C@H](CC(=O)OC)[C@]1(C)[C@@H]32
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeMelia toosendan Ref.
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