RefMet Compound Details
MW structure | 50885 (View MW Metabolite Database details) | |
---|---|---|
RefMet name | Macrocin | |
Systematic name | [(2R,3R,4E,6E,9R,11R,12S,13S,14R)-12-[3,6-dideoxy-4-O-(2,6-dideoxy-3-C-methyl-alpha-L-ribo-hexopyranosyl)-3-(dimethylamino)-beta-D-glucopyranosyloxy]-2-ethyl-14-hydroxy-5,9,13-trimethyl-8,16-dioxo-11-(2-oxoethyl)oxacyclohexadeca-4,6-dien-3-yl]methyl 6-deoxy-2-O-methyl-beta-D-allopyranoside | |
SMILES | CC[C@@H]1[C@H](/C=C(\C)/C=C/C(=O)[C@H](C)C[C@H](CC=O)[C@@H]([C@@H](C)[C@@H](CC(=O)O1)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](C)O1)O[C@H]1C[C@](C)([C@H]([C@H](C)O1)O)O)N(C)C)O)CO[C@H]1[C@@H]([C@@H]([C@@H]([C@@H](C)O1)O)O)OC Run Tanimoto similarity search (with similarity coefficient >=0.6) | |
Exact mass | 901.503504 (neutral) |