RefMet Compound Details
RefMet ID | RM0135811 | |
---|---|---|
MW structure | 36327 (View MW Metabolite Database details) | |
RefMet name | Isocholic acid | |
Systematic name | 3beta,7alpha,12alpha-Trihydroxy-5beta-cholan-24-oic acid | |
SMILES | C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@@H]([C@]12C)O)[C@@]1(C)CC[C@@H](C[C@H]1C[C@H]3O)O Run Tanimoto similarity search (with similarity coefficient >=0.6) | |
Exact mass | 408.287575 (neutral) |