RefMet Compound Details
MW structure | 71131 (View MW Metabolite Database details) | |
---|---|---|
RefMet name | Ambelline | |
Systematic name | (2S,3R,4S,5R,6R)-2-[[(2R,3S,4S,5R,6R)-6-[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]tetrahydrofuran-2-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-yl]methoxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol | |
SMILES | CO[C@H]1C=C[C@@]23c4cc5c(c(c4CN(C[C@@H]3O)[C@@H]2C1)OC)OCO5 Run Tanimoto similarity search (with similarity coefficient >=0.6) | |
Exact mass | 331.141974 (neutral) |