RefMet Compound Details
MW structure | 68832 (View MW Metabolite Database details) | |
---|---|---|
RefMet name | Verbascose | |
Systematic name | (2S,3R,4S,5R,6R)-2-[[(2R,3R,4S,5R,6S)-6-[[(2R,3R,4S,5R,6S)-6-[[(2R,3S,4S,5R,6R)-6-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)tetrahydrofuran-2-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-yl]methoxy]-3,4,5-trihydroxy-tetrahydropyran-2-yl]methoxy]-3,4,5-trihydroxy-tetrahydropyran-2-yl]methoxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol | |
SMILES | C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](OC[C@@H]2[C@@H]([C@@H]([C@H]([C@@H](OC[C@@H]3[C@@H]([C@@H]([C@H]([C@@H](OC[C@@H]4[C@H]([C@@H]([C@H]([C@H](O4)O[C@@]4(CO)[C@H]([C@@H]([C@@H](CO)O4)O)O)O)O)O)O3)O)O)O)O2)O)O)O)O1)O)O)O)O Run Tanimoto similarity search (with similarity coefficient >=0.6) | |
Exact mass | 828.274682 (neutral) |