input word = C00028753

Metabolite InformationStructural formula
Name Obovamine
Formula C22H26N2O4
Mw 382.18925733
CAS RN 172670-51-8
C_ID C00028753 ,
InChIKey ZDQAGEXQZBOHHR-GELAWQOPNA-N
InChICode InChI=1S/C22H26N2O4/c1-4-12-9-13-11-21(20(25)27-3)17(12)24-8-7-22(28-18(13)24)15-10-14(26-2)5-6-16(15)23-19(21)22/h5-6,10,12-13,17-18H,4,7-9,11H2,1-3H3/t12-,13+,17-,18-,21-,22+/m0/s1
SMILES CC[C@H]1CC2C[C@@]3(C(=O)OC)C4=Nc5ccc(OC)cc5[C@]45CCN([C@@H]13)[C@H]2O5
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr Secologanin
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeStemmadenia obovata Benth Ref.
zoom in



OrganismStemmadenia obovata Benth
ReferenceLemos,J.Braz.Chem.Soc.,7,(1996),123