RefMet Compound Details
MW structure | 69377 (View MW Metabolite Database details) | |
---|---|---|
RefMet name | Neocarlinoside | |
Systematic name | 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]-8-[(2R,3R,4S,5S)-3,4,5-trihydroxytetrahydropyran-2-yl]chromen-4-one | |
SMILES | c1cc(c(cc1c1cc(=O)c2c(c(c(c(c2o1)[C@@H]1[C@@H]([C@H]([C@H](CO1)O)O)O)O)[C@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O)O)O)O)O)O Run Tanimoto similarity search (with similarity coefficient >=0.6) | |
Exact mass | 580.142825 (neutral) |