RefMet Compound Details
MW structure | 87217 (View MW Metabolite Database details) | |
---|---|---|
RefMet name | Cortolone-3-glucuronide | |
Systematic name | (2S,3S,4S,5R,6R)-6-{[14-(1,2-dihydroxyethyl)-14-hydroxy-2,15-dimethyl-17-oxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-4-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid | |
SMILES | C[C@]12CC[C@H](C[C@@H]1CC[C@H]1[C@@H]3CC[C@]([C@H](CO)O)([C@@]3(C)CC(=O)[C@H]21)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](C(=O)O)O1)O)O)O Run Tanimoto similarity search (with similarity coefficient >=0.6) | |
Exact mass | 542.272715 (neutral) |