RefMet Compound Details
MW structure | 28786 (View MW Metabolite Database details) | |
---|---|---|
RefMet name | Pyrrhoxanthin | |
Systematic name | [(1R)-4-[(3E,5E,7E,9E,11Z)-11-[4-[(E)-2-[(1S,4S,6R)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl]ethenyl]-5-oxofuran-2-ylidene]-3,10-dimethylundeca-3,5,7,9-tetraen-1-ynyl]-3,5,5-trimethyl-1-cyclohex-3-enyl] acetate | |
SMILES | C/C(=C\C=C\C=C\C=C(/C)\C=C/1\C=C(/C=C/[C@]23C(C)(C)C[C@@H](C[C@@]2(C)O3)O)C(=O)O1)/C#CC1=C(C)C[C@H](CC1(C)C)OC(=O)C Run Tanimoto similarity search (with similarity coefficient >=0.6) | |
Exact mass | 612.345090 (neutral) |