RefMet Compound Details
MW structure | 36601 (View MW Metabolite Database details) | |
---|---|---|
RefMet name | 3,7,12-Trioxochola-1,5-dien-24-oic acid | |
Systematic name | 3,7,12-Trioxochola-1,5-dien-24-oic acid | |
SMILES | C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@H]3[C@H](CC(=O)[C@]12C)[C@@]1(C)C=CC(=O)CC1=CC3=O Run Tanimoto similarity search (with similarity coefficient >=0.6) | |
Sum Composition | ST 24:6;O5 | View other entries in RefMet with this sum composition |
Exact mass | 398.209325 (neutral) |