RefMet Compound Details
MW structure | 69090 (View MW Metabolite Database details) | |
---|---|---|
RefMet name | Borreverine | |
Systematic name | (3aR,5aR,9R,10aR)-9-hydroxy-8-(hydroxymethyl)-1-isopropyl-3a,5a-dimethyl-3,4,5,9,10,10a-hexahydro-2H-cyclohepta[e]inden-6-one | |
SMILES | CC1=C[C@H]2[C@@H]([C@@H](c3c(CCNC)c4ccccc4[nH]3)[C@@]34CCN(C)[C@]24Nc2ccccc32)C(C)(C)C1 Run Tanimoto similarity search (with similarity coefficient >=0.6) | |
Exact mass | 480.325296 (neutral) |