RefMet Compound Details
MW structure | 70202 (View MW Metabolite Database details) | |
---|---|---|
RefMet name | 11-Deoxocucurbitacin I | |
Systematic name | (8R,9R,10S,13R,14S,16R,17R)-17-[(E,1R)-1,5-dihydroxy-1,5-dimethyl-2-oxo-hex-3-enyl]-2,16-dihydroxy-4,4,9,13,14-pentamethyl-7,8,10,11,12,15,16,17-octahydrocyclopenta[a]phenanthren-3-one | |
SMILES | CC(C)(/C=C/C(=O)[C@@](C)([C@H]1[C@@H](C[C@@]2(C)C3CC=C4[C@@H](C=C(C(=O)C4(C)C)O)[C@]3(C)CC[C@]12C)O)O)O Run Tanimoto similarity search (with similarity coefficient >=0.6) | |
Exact mass | 500.313790 (neutral) |