input word = C00035229

Metabolite InformationStructural formula
Name 6,7-seco-Angustilobine B
(+)-6,7-Secoangustilobine B
Formula C20H24N2O3
Mw 340.17869265
CAS RN 112464-23-0
C_ID C00035229 ,
InChIKey SSQMYHQHWMKUFY-PIBXODDPNA-N
InChICode InChI=1S/C20H24N2O3/c1-22-9-7-16-15(12-22)8-10-25-13-20(16,19(23)24-2)18-11-14-5-3-4-6-17(14)21-18/h3-6,8,11,16,21H,7,9-10,12-13H2,1-2H3/t16-,20+/m0/s1
SMILES COC(=O)C1(c2cc3ccccc3[nH]2)COCC=C2CN(C)CC[C@@H]21
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeAlstonia scholaris Ref.
PlantaeApocynaceaeWinchia calophylla Ref.
zoom in