input word = C00047662

Metabolite InformationStructural formula
Name 3-Epivobasinol
(-)-3-Epivobasinol
Formula C21H26N2O3
Mw 354.19434271
CAS RN 1146097-22-4
C_ID C00047662 ,
InChIKey HZRZXZZTSRUSLH-OGGAWXJMNA-N
InChICode InChI=1S/C21H26N2O3/c1-4-12-11-23(2)17-9-15-13-7-5-6-8-16(13)22-20(15)18(24)10-14(12)19(17)21(25)26-3/h4-8,14,17-19,22,24H,9-11H2,1-3H3/b12-4-/t14-,17-,18+,19-/m0/s1
SMILES c1ccc2c(c1)c1c([nH]2)[C@@H](C[C@H]2/C(=C\C)/CN([C@@H](C1)[C@H]2C(=O)OC)C)O
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeHunteria zeylanica Ref.
zoom in