input word = C00026113

Metabolite InformationStructural formula
Name Canadaline
(+)-Canadaline
Formula C21H23NO5
Mw 369.15762285
CAS RN 52801-27-1
C_ID C00026113 ,
InChIKey ROAHDZJDHGLGBA-AGDOHHJYNA-N
InChICode InChI=1S/C21H23NO5/c1-22-7-6-14-9-19-20(27-12-26-19)10-15(14)17(22)8-13-4-5-18(24-2)21(25-3)16(13)11-23/h4-5,9-11,17H,6-8,12H2,1-3H3/t17-/m0/s1
SMILES COc1ccc(C[C@H]2c3cc4c(cc3CCN2C)OCO4)c(C=O)c1OC
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
PlantaeRanunculaceae/HydrastidaceaeHydrastis canadensis L. Ref.
zoom in