RefMet Compound Details
MW structure | 70547 (View MW Metabolite Database details) | |
---|---|---|
RefMet name | Xanthoxic acid | |
Systematic name | (2Z,4E)-5-[(1R,3S,6S)-3-hydroxy-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-6-yl]-3-methyl-penta-2,4-dienoic acid | |
SMILES | C/C(=C/C(=O)O)/C=C/[C@]12C(C)(C)C[C@@H](C[C@@]1(C)O2)O Run Tanimoto similarity search (with similarity coefficient >=0.6) | |
Exact mass | 266.151810 (neutral) |