input word = C00039146

Metabolite InformationStructural formula
Name Ervadivaricatine B
Formula C43H54N4O5
Mw 706.40942086
CAS RN 204581-20-4
C_ID C00039146 ,
InChIKey YBBXESOBDXAWTH-MXHDWZQKNA-N
InChICode InChI=1S/C43H54N4O5/c1-7-24-15-23-20-43(42(49)52-6)39-27(13-14-47(21-23)40(24)43)29-19-36(50-4)30(17-34(29)45-39)31-16-28-25(8-2)22-46(3)35(37(28)41(48)51-5)18-32-26-11-9-10-12-33(26)44-38(31)32/h9-12,17,19,23-25,28,31,35,37,40,44-45H,7-8,13-16,18,20-22H2,1-6H3/t23-,24+,25-,28-,31+,35+,37+,40+,43-/m1/s1
SMILES [C@H]1(CN([C@H]2Cc3c([C@@H](C[C@H]1[C@@H]2C(=O)OC)c1c(cc2c4c([C@]5([C@H]6N(CC4)C[C@@H](C5)C[C@@H]6CC)C(=O)OC)[nH]c2c1)OC)[nH]c1c3cccc1)C)CC
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeErvatamia divaricata Ref.
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