RefMet Compound Details
MW structure | 21311 (View MW Metabolite Database details) | |
---|---|---|
RefMet name | Ansamitocin P3 | |
Systematic name | [(1S,2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]2-methylpropanoate | |
SMILES | CC(C)C(=O)O[C@H]1CC(=O)N(C)c2cc(C/C(=C/C=C/[C@H]([C@]3(C[C@@H]([C@@H](C)[C@H]4[C@@]1(C)O4)OC(=O)N3)O)OC)/C)cc(c2Cl)OC Run Tanimoto similarity search (with similarity coefficient >=0.6) | |
Exact mass | 634.265711 (neutral) |