input word = C00029221

Metabolite InformationStructural formula
Name Villalstonine
(+)-Villalstonine
Formula C41H48N4O4
Mw 660.36755605
CAS RN 2723-56-0
C_ID C00029221 ,
InChIKey XXNYZYBYNFRERU-OUBWWKSTNA-N
InChICode InChI=1S/C41H48N4O4/c1-6-23-21-44-16-15-40-20-30-26-17-34-36-27(24-11-7-9-13-31(24)43(36)4)18-33(42(34)3)28(26)22-48-39(30,2)49-41(40)35(44)19-25(23)37(38(46)47-5)45(41)32-14-10-8-12-29(32)40/h6-14,25-26,28,30,33-35,37H,15-22H2,1-5H3/b23-6-/t25-,26-,28-,30-,33-,34-,35-,37+,39+,40-,41-/m0/s1
SMILES C/C=C1/CN2CCC34CC5C6CC7c8c(c9ccccc9n8C)CC(C6COC5(C)OC35C2CC1C(C(=O)OC)N5c1ccccc14)N7C
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeAlstonia angustifolia Ref.
PlantaeApocynaceaeAlstonia macrophylla Wall. Ref.
PlantaeApocynaceaeAlstonia somersetensis Ref.
PlantaeApocynaceaeAlstonia villosa Ref.
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