RefMet Compound Details
MW structure | 68188 (View MW Metabolite Database details) | |
---|---|---|
RefMet name | Sergeolide | |
Systematic name | 2-(2,4-dichlorophenyl)-1,3-bis(1,2,4-triazol-1-yl)propan-2-ol | |
SMILES | C[C@@H]1C2=CC(=O)OC2=C[C@@]2(C)[C@H]1C[C@@H]1[C@]34CO[C@@]([C@@H]4[C@H](C(=O)O1)OC(=O)C)([C@H]([C@@H]([C@H]23)O)O)C(=O)OC Run Tanimoto similarity search (with similarity coefficient >=0.6) | |
Exact mass | 504.163165 (neutral) |