RefMet Compound Details
MW structure | 70191 (View MW Metabolite Database details) | |
---|---|---|
RefMet name | Cassaidine | |
Systematic name | 2-(dimethylamino)ethyl (2E)-2-[(1R,4aS,4bR,7S,8aR,10S,10aS)-7,10-dihydroxy-1,4b,8,8-tetramethyl-3,4,4a,5,6,7,8a,9,10,10a-decahydro-1H-phenanthren-2-ylidene]acetate | |
SMILES | C[C@H]1/C(=C/C(=O)OCCN(C)C)/CC[C@H]2C1[C@H](C[C@H]1C(C)(C)[C@H](CC[C@]21C)O)O Run Tanimoto similarity search (with similarity coefficient >=0.6) | |
Exact mass | 407.303559 (neutral) |