RefMet Compound Details
MW structure | 63011 (View MW Metabolite Database details) | |
---|---|---|
RefMet name | 3'-N-Debenzoyltaxol | |
Systematic name | (2alpha,5beta,7beta,10beta,13alpha)-4,10-bis(acetyloxy)-13-{[(2R,3S)-3-amino-2-hydroxy-3-phenylpropanoyl]oxy}-1,7-dihydroxy-9-oxo-5,20-epoxytax-11-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]1OC(=O)[C@@H]([C@H](c1ccccc1)N)O)(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 | 749.304744 (neutral) |