Chrysoeriol 7-glucuronide
PubChem CID: 14630700
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| Compound Synonyms | Chrysoeriol 7-glucuronide |
|---|---|
| Topological Polar Surface Area | 192.0 |
| Hydrogen Bond Donor Count | 6.0 |
| Inchi Key | VLYLVFHVHHGXHX-UHFFFAOYSA-N |
| Rotatable Bond Count | 5.0 |
| Synonyms | 4',5,7-Trihydroxy-3'-methoxyflavone, 8CI, 7-O-b-D-Glucuronopyranoside, Chrysoeriol 7-glucuronide |
| Heavy Atom Count | 34.0 |
| Compound Name | Chrysoeriol 7-glucuronide |
| Description | Chrysoeriol 7-glucuronide is a member of the class of compounds known as flavonoid-7-o-glucuronides. Flavonoid-7-o-glucuronides are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to glucuronic acid at the C7-position. Chrysoeriol 7-glucuronide is slightly soluble (in water) and a moderately acidic compound (based on its pKa). Chrysoeriol 7-glucuronide can be found in parsley, which makes chrysoeriol 7-glucuronide a potential biomarker for the consumption of this food product. |
| Exact Mass | 476.095 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 476.095 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 801.0 |
| Hydrogen Bond Acceptor Count | 12.0 |
| Molecular Weight | 476.4 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3,4,5-trihydroxy-6-[5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxochromen-7-yl]oxyoxane-2-carboxylic acid |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C22H20O12/c1-31-14-4-8(2-3-10(14)23)13-7-12(25)16-11(24)5-9(6-15(16)33-13)32-22-19(28)17(26)18(27)20(34-22)21(29)30/h2-7,17-20,22-24,26-28H,1H3,(H,29,30) |
| Smiles | COC1=C(C=CC(=C1)C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)C(=O)O)O)O)O)O)O |
| Xlogp | 1.1 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C22H20O12 |
- 1. Outgoing r'ship
FOUND_INto/from Petroselinum Crispum (Plant) Rel Props:Source_db:fooddb_chem_all