RefMet Compound Details
MW structure | 52081 (View MW Metabolite Database details) | |
---|---|---|
RefMet name | Baccatin III | |
Systematic name | [(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-1,9,15-trihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl]benzoate | |
SMILES | CC1=C2[C@H](C(=O)[C@]3(C)[C@H](C[C@@H]4[C@@](CO4)([C@H]3[C@@H]([C@](C[C@@H]1O)(C2(C)C)O)OC(=O)c1ccccc1)OC(=O)C)O)OC(=O)C Run Tanimoto similarity search (with similarity coefficient >=0.6) | |
Exact mass | 586.241415 (neutral) |