RefMet Compound Details
MW structure | 70920 (View MW Metabolite Database details) | |
---|---|---|
RefMet name | Trichomycin A | |
Systematic name | (4E,6E,8E,10E,12E,14E,16E)-3-[(2R,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-19-[6-(4-aminophenyl)-4-hydroxy-1-methyl-6-oxo-hexyl]-25,27,31,33,35,37-hexahydroxy-18-methyl-21,23-dioxo-20,39-dioxabicyclo[33.3.1]nonatriaconta-4,6,8,10,12,14,16-heptaene-38-carboxylic acid | |
SMILES | CC1/C=C/C=C/C=C/C=C/C=C/C=C/C=C/C(CC2C(C(CC(CC(CC(CCCC(CC(CC(=O)CC(=O)OC1C(C)CCC(CC(=O)c1ccc(cc1)N)O)O)O)O)O)(O)O2)O)C(=O)O)O[C@H]1[C@H]([C@H]([C@@H]([C@@H](C)O1)O)N)O Run Tanimoto similarity search (with similarity coefficient >=0.6) | |
Exact mass | 1096.571918 (neutral) |