RefMet Compound Details
MW structure | 71221 (View MW Metabolite Database details) | |
---|---|---|
RefMet name | Messagenin | |
Systematic name | 1-[(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bS)-9-hydroxy-3a-(hydroxymethyl)-5a,5b,8,8,11a-pentamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-1-yl]ethanone | |
SMILES | CC(=O)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@@H](C(C)(C)[C@@H]5CC[C@@]34C)O)[C@@H]12)CO Run Tanimoto similarity search (with similarity coefficient >=0.6) | |
Exact mass | 444.360345 (neutral) |