RefMet Compound Details
MW structure | 38262 (View MW Metabolite Database details) | |
---|---|---|
RefMet name | Chlorogenic acid | |
Systematic name | (1S,3R,4R,5R)-3-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,4,5-trihydroxycyclohexane-1-carboxylic acid | |
SMILES | c1cc(c(cc1/C=C/C(=O)O[C@@H]1C[C@@](C[C@H]([C@H]1O)O)(C(=O)O)O)O)O Run Tanimoto similarity search (with similarity coefficient >=0.6) | |
Exact mass | 354.095085 (neutral) |