RefMet Compound Details
MW structure | 53228 (View MW Metabolite Database details) | |
---|---|---|
RefMet name | Ingenol | |
Systematic name | (1aR,2S,5R,5aR,6S,8aS,9R,10aR)-5,5a,6-trihydroxy-4-(hydroxymethyl)-1,1,7,9-tetramethyl-1a,2,5,5a,6,9,10,10a-octahydro-1H-2,8a-methanocyclopenta[a]cyclopropa[e][10]annulen-11-one | |
SMILES | CC1=C[C@]23[C@H](C)C[C@@H]4[C@H]([C@H](C=C(CO)[C@H]([C@@]3([C@H]1O)O)O)C2=O)C4(C)C Run Tanimoto similarity search (with similarity coefficient >=0.6) | |
Exact mass | 348.193675 (neutral) |