input word = C00026073

Metabolite InformationStructural formula
Name Vallesamine
(+)-Vallesamine
19,20-(E)-Vallesamine
Formula C20H24N2O3
Mw 340.17869265
CAS RN 3368-87-4
C_ID C00026073 ,
InChIKey JZKSIYFJGCTTET-QQBJGHSPNA-N
InChICode InChI=1S/C20H24N2O3/c1-3-13-10-22-9-8-16(13)20(12-23,19(24)25-2)18-15(11-22)14-6-4-5-7-17(14)21-18/h3-7,16,21,23H,8-12H2,1-2H3/b13-3-/t16-,20-/m0/s1
SMILES C\1(=C\C)/CN2Cc3c([C@]([C@H]1CC2)(C(=O)OC)CO)[nH]c1c3cccc1
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeAlstonia scholaris Ref.
PlantaeApocynaceaeTabernaemontana amblyocarpa Urb. Ref.
PlantaeApocynaceaeTabernaemontana citrifolia L. Ref.
PlantaeApocynaceaeTabernaemontana coffeoides Boj. Ref.
PlantaeApocynaceaeTabernaemontana dichotoma Roxb.ex Wall Ref.
PlantaeApocynaceaeWinchia calophylla Ref.
zoom in