RefMet Compound Details
MW structure | 70670 (View MW Metabolite Database details) | |
---|---|---|
RefMet name | Cancentrine | |
Systematic name | (2R)-2-[(2S,12bS)-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl]but-3-en-1-ol | |
SMILES | CN1CC[C@@]23[C@@H]4C[C@]5(C(=O)C6=C7c8c(ccc(c8Oc8c6ccc(c8O)OC)OC)CCN57)[C@H]3Oc3c(ccc(C[C@H]14)c23)OC Run Tanimoto similarity search (with similarity coefficient >=0.6) | |
Exact mass | 606.236603 (neutral) |