input word = C00027072

Metabolite InformationStructural formula
Name Cathafoline N(4)-oxide
Formula C21H26N2O3
Mw 354.19434271
CAS RN 154849-46-4
C_ID C00027072 ,
InChIKey TZTSOWBLAOOMOT-PQMHYQBVNA-N
InChICode InChI=1S/C21H26N2O3/c1-4-13-12-23(25)10-9-21-15-7-5-6-8-16(15)22(2)19(21)17(23)11-14(13)18(21)20(24)26-3/h4-8,14,17-19H,9-12H2,1-3H3/b13-4-/t14-,17-,18-,19+,21-,23+/m0/s1
SMILES c1ccc2c(c1)[C@@]13[C@H](N2C)[C@@H]2C[C@@H](/C(=C/C)/CN2(=O)CC1)[C@H]3C(=O)OC
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeAlstonia angustifolia Ref.
PlantaeApocynaceaeAlstonia angustifolia var.latifolia Ref.
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