RefMet Compound Details
MW structure | 36464 (View MW Metabolite Database details) | |
---|---|---|
RefMet name | Apocholic acid | |
Systematic name | 3alpha,12alpha-Dihydroxy-5beta-chol-8(14)-en-24-oic acid | |
SMILES | C[C@H](CCC(=O)O)[C@H]1CCC2=C3CC[C@@H]4C[C@@H](CC[C@]4(C)[C@H]3C[C@@H]([C@]12C)O)O Run Tanimoto similarity search (with similarity coefficient >=0.6) | |
Sum Composition | ST 24:2;O4 | View other entries in RefMet with this sum composition |
Exact mass | 390.277010 (neutral) |