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 COc1cc2cc(c1Cl)N(C)C(=O)CC(OC(=O)C(C)N(C)C(=O)C(C)C)C1(C)OC1C(C)C1CC(O)(NC(=O)O1)C(OC)/C=C/C=C(C)C2OC
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
PlantaeAnnonaceaeAsimina triloba Ref.
PlantaeEuphorbiaceaeTrewia nudiflora Ref.
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