RefMet Compound Details
MW structure | 21995 (View MW Metabolite Database details) | |
---|---|---|
RefMet name | Triphyllin B | |
Systematic name | (2S,3R,4S,5S,6R)-2-[[(2R,4S)-4-hydroxy-6-(hydroxymethyl)-2-(4-hydroxyphenyl)-8-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-chromen-7-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol | |
SMILES | Cc1c(c(CO)c(c2[C@H](C[C@H](c3ccc(cc3)O)Oc12)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O)O)O Run Tanimoto similarity search (with similarity coefficient >=0.6) | |
Exact mass | 642.215990 (neutral) |