RefMet Compound Details
MW structure | 42781 (View MW Metabolite Database details) | |
---|---|---|
RefMet name | Spironolactone | |
Systematic name | (1'S,2R,2'R,9'R,10'R,11'S,15'S)-9'-(acetylsulfanyl)-2',15'-dimethylspiro[oxolane-2,14'-tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan]-6'-ene-5,5'-dione | |
SMILES | CC(=O)S[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@]43CCC(=O)O4)[C@H]12 Run Tanimoto similarity search (with similarity coefficient >=0.6) | |
Exact mass | 416.202132 (neutral) |