RefMet Compound Details
MW structure | 75140 (View MW Metabolite Database details) | |
---|---|---|
RefMet name | 4-Ketonostoxanthin 3-sulfate | |
Systematic name | [(1R,6R)-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4S,5R)-4,5-dihydroxy-2,6,6-trimethyl-3-oxo-1-cyclohexenyl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-6-hydroxy-3,5,5-trimethyl-1-cyclohex-3-enyl] hydrogen sulfate | |
SMILES | C/C(=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C1=C(C)C(=O)[C@H]([C@@H](C1(C)C)O)O)/C=C/C=C(\C)/C=C/C1=C(C)C[C@H]([C@@H](C1(C)C)O)OS(=O)(=O)O Run Tanimoto similarity search (with similarity coefficient >=0.6) | |
Exact mass | 716.335889 (neutral) |