RefMet Compound Details
MW structure | 53300 (View MW Metabolite Database details) | |
---|---|---|
RefMet name | Monocrotaline | |
Systematic name | (3R,4R,5R,13aR,13bR)-4,5-dihydroxy-3,4,5-trimethyl-4,5,8,10,12,13,13a,13b-octahydro-2H-[1,6]dioxacycloundecino[2,3,4-gh]pyrrolizine-2,6(3H)-dione | |
SMILES | C[C@H]1C(=O)O[C@@H]2CCN3CC=C(COC(=O)[C@@](C)([C@]1(C)O)O)[C@H]23 Run Tanimoto similarity search (with similarity coefficient >=0.6) | |
Exact mass | 325.152537 (neutral) |