input word = C00047356

Metabolite InformationStructural formula
Name Trewiasine
Formula C37H52ClN3O11
Mw 749.32903724
CAS RN 78987-26-5
C_ID C00047356 ,
InChIKey GNTFDQQBHGBGMN-OCRAYANJNA-N
InChICode InChI=1S/C37H52ClN3O11/c1-19(2)33(43)40(7)22(5)34(44)51-28-17-29(42)41(8)24-15-23(16-25(47-9)30(24)38)31(49-11)20(3)13-12-14-27(48-10)37(46)18-26(50-35(45)39-37)21(4)32-36(28,6)52-32/h12-16,19,21-22,26-28,31-32,46H,17-18H2,1-11H3,(H,39,45)/b14-12+,20-13+/t21-,22+,26-,27-,28+,31-,32+,36+,37+/m0/s1
SMILES C1[C@H]2[C@@H]([C@@H]3[C@]([C@@H](CC(=O)N(c4cc([C@H](/C(=C/C=C/[C@@H]([C@]1(NC(=O)O2)O)OC)/C)OC)cc(c4Cl)OC)C)OC(=O)[C@H](N(C(=O)C(C)C)C)C)(C)O3)C
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
PlantaeAnnonaceaeAsimina triloba Ref.
PlantaeEuphorbiaceaeTrewia nudiflora Ref.
zoom in