input word = C00027064

Metabolite InformationStructural formula
Name Alstonal
Formula C20H22N2O3
Mw 338.16304258
CAS RN 172924-28-6
C_ID C00027064 ,
InChIKey QIGXIPRJNUYEFT-LIBOIMESNA-N
InChICode InChI=1S/C20H22N2O3/c1-11-13(9-23)12-7-18-20(8-16(21-18)14(12)10-25-11)15-5-3-4-6-17(15)22(2)19(20)24/h3-6,9,12,14,16,18,21H,7-8,10H2,1-2H3/t12-,14+,16-,18-,20-/m0/s1
SMILES C1[C@]2([C@@H]3C[C@@H]4[C@H]([C@H]1N3)COC(=C4C=O)C)C(=O)N(c1c2cccc1)C
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeAlstonia angustifolia Ref.
PlantaeApocynaceaeAlstonia angustifolia var.latifolia Ref.
PlantaeApocynaceaeAlstonia macrophylla Ref.
zoom in