input word = C00027089

Metabolite InformationStructural formula
Name Alstomaline
Formula C20H22N2O3
Mw 338.16304258
CAS RN 685508-21-8
C_ID C00027089 ,
InChIKey LKDWBLMHMZGRGJ-KGVSQERTNA-N
InChICode InChI=1S/C20H22N2O3/c1-3-12-11-22-9-8-19-15-10-13(23)4-5-16(15)21-20(19,22)7-6-14(12)17(19)18(24)25-2/h3-5,10,14,17H,6-9,11H2,1-2H3/b12-3+/t14-,17-,19-,20-/m1/s1
SMILES [C@@H]1([C@H]2/C(=C/C)/CN3[C@@]4([C@@]1(C1=CC(=O)C=CC1=N4)CC3)CC2)C(=O)OC
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr L-Lys Secologanin
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeAlstonia macrophylla Ref.
zoom in