input word = C00001711

Metabolite InformationStructural formula
Name C-curarine
Formula C40H44N4O
Mw 596.35151206
CAS RN 7168-64-1
C_ID C00001711 ,
InChIKey DWELRYDMYVJVSL-ZDAJIBGCNA-N
InChICode InChI=1S/C40H44N4O/c1-5-25-23-43(3)17-15-37-29-11-7-10-14-34(29)42-22-32-28-20-36-38(16-18-44(36,4)24-26(28)6-2)30-12-8-9-13-33(30)41-21-31(27(25)19-35(37)43)39(37,42)45-40(32,38)41/h5-14,21-22,27-28,35-36H,15-20,23-24H2,1-4H3/q+2/b25-5-,26-6-/t27-,28?,35-,36-,37+,38+,39+,40+,43-,44-/m0/s1
SMILES [C@@]123[C@@]45N(c6c1cccc6)C=C1[C@]6([C@]7(c8c(N6C=C4[C@H]4C[C@@H]2[N@@+](CC3)(C/C/4=C/C)C)cccc8)[C@@H]2C[C@H]1/C(=C\C)/C[N@@+]2(CC7)C)O5
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin IPP
Organism
Kingdom Family Species Reference
PlantaeLonganiaceaeStrychnos divaricans Ref.
PlantaeLonganiaceaeStrychnos froesii Ref.
PlantaeLonganiaceaeStrychnos mittschelichii Ref.
PlantaeLonganiaceaeStrychnos solimoensana Ref.
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