RefMet Compound Details
MW structure | 69573 (View MW Metabolite Database details) | |
---|---|---|
RefMet name | Protoveratrine B | |
Systematic name | (3S,8S,9S,10R,13S,14S,17S)-17-[(1S)-1-(dimethylamino)ethyl]-N,N,10,13-tetramethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-amine | |
SMILES | CC[C@@H](C)C(=O)O[C@H]1[C@@H](C2[C@@H](CN3C[C@@H](C)CCC3[C@@]2(C)O)C2C[C@@]34[C@@H]([C@@H]([C@@H]([C@H]5[C@]3(C)CC[C@@H]([C@@]5(O)O4)OC(=O)[C@](C)([C@@H](C)O)O)OC(=O)C)OC(=O)C)[C@]12O)O Run Tanimoto similarity search (with similarity coefficient >=0.6) | |
Exact mass | 809.419774 (neutral) |