RefMet Compound Details
RefMet ID | RM0136187 | |
---|---|---|
MW structure | 38148 (View MW Metabolite Database details) | |
RefMet name | Celastrol | |
Systematic name | (2R,4aS,6aS,12bR,14aS,14bR)-10-hydroxy-2,4a,6a,9,12b,14a-hexamethyl-11-oxo-1,2,3,4,4a,5,6,6a,11,12b,13,14,14a,14b-tetradecahydropicene-2-carboxylic acid | |
SMILES | CC1=C(C(=O)C=C2C1=CC=C1[C@@]2(C)CC[C@@]2(C)[C@@H]3C[C@@](C)(CC[C@]3(C)CC[C@]12C)C(=O)O)O Run Tanimoto similarity search (with similarity coefficient >=0.6) | |
Exact mass | 450.277010 (neutral) |