| C20H24O7 | 376.4 g/mol |
| Name | Trans-grandmarin isovalerate |
|---|---|
| Alternative name | Urolithin B glucuronide; Urolithin B 3-O-glucuronide |
| Formula | C20H24O7 |
| Formula Weight | 376.40 g/mol |
| Molecular Weight | 376.40 g/mol |
| Monoisotopic Mass | 376.152000 g/mol |
| InChI Key | KULKFALUVSLOHX-UHFFFAOYSA-N |
| IUPAC | (10-hydroxy-5-methoxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-9-yl) 3-methylbutanoate |
| InChI | InChI=1S/C19H16O9/c20-13-14(21)16(17(23)24)28-19(15(13)22)26-8-5-6-10-9-3-1-2-4-11(9)18(25)27-12(10)7-8/h1-7,13-16,19-22H,(H,23,24)/t13-,14-,15+,16-,19+/m0/s1 |
| SMILES | O[C@@H]1[C@@H](O)[C@H](OC2=CC3=C(C=C2)C2=CC=CC=C2C(=O)O3)O[C@@H]([C@H]1O)C(O)=O |
| Food | Grains, |
|---|---|
| Food Source | Barley, |
| Family | Phenolic |
| Class | Coumarin |
| Subclass Group | Coumarin derivative |
| Subclass | Pyranocoumarin |
| Metabolite | Coumarin metabolite |