RefMet Compound Details
MW structure | 50970 (View MW Metabolite Database details) | |
---|---|---|
RefMet name | Phorbol 12,13-dibutanoate | |
Systematic name | (1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-9aH-cyclopropa[3,4]benzo[1,2-e]azulene-9,9a-diyl dibutanoate | |
SMILES | CCCC(=O)O[C@@H]1[C@@H](C)[C@]2([C@@H](C=C(C[C@]3([C@H]2C=C(C)C3=O)O)CO)[C@@H]2C(C)(C)[C@]12OC(=O)CCC)O Run Tanimoto similarity search (with similarity coefficient >=0.6) | |
Exact mass | 504.272320 (neutral) |