Quercetin 4'-glucuronide
PubChem CID: 57331045
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| Compound Synonyms | quercetin-4'-glucuronide, Quercetin 4'-glucuronide, HMDB33668, Quercetin 4'-o-glucuronide, UNII-90VNX82LK3, 90VNX82LK3, Quercetin 4'-o-beta-glucuronide, Quercetin 4'-o-beta-D-glucuronide, 201463-36-7, 3,4,5-Trihydroxy-6-(2-hydroxy-4-(3,5,7-trihydroxy-4-oxo-4H-chromen-2-yl)phenoxy)oxane-2-carboxylic acid, 3,4,5-Trihydroxy-6-(2-hydroxy-4-(3,5,7-trihydroxy-4-oxochromen-2-yl)phenoxy)oxane-2-carboxylic acid, QUERCETIN 4'-O-.BETA.-GLUCURONIDE, QUERCETIN 4'-O-.BETA.-D-GLUCURONIDE, 2-Hydroxy-4-(3,5,7-trihydroxy-4-oxo-4H-chromen-2-yl)phenyl beta-D-glucopyranosiduronic acid, 4H-1-Benzopyran-4-one, 2-(4-(beta-D-glucopyranuronosyloxy)-3-hydroxyphenyl)-3,5,7-trihydroxy-, (2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-(2-hydroxy-4-(3,5,7-trihydroxy-4-oxo-4H-chromen-2-yl)phenoxy)oxane-2-carboxylic acid, (2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-(2-hydroxy-4-(3,5,7-trihydroxy-4-oxochromen-2-yl)phenoxy)oxane-2-carboxylic acid, beta-D-Glucopyranosiduronic acid, 2-hydroxy-4-(3,5,7-trihydroxy-4-oxo-4H-1-benzopyran-2-yl)phenyl, .BETA.-D-GLUCOPYRANOSIDURONIC ACID, 2-HYDROXY-4-(3,5,7-TRIHYDROXY-4-OXO-4H-1-BENZOPYRAN-2-YL)PHENYL, 2-HYDROXY-4-(3,5,7-TRIHYDROXY-4-OXO-4H-CHROMEN-2-YL)PHENYL .BETA.-D-GLUCOPYRANOSIDURONIC ACID, 4H-1-BENZOPYRAN-4-ONE, 2-(4-(.BETA.-D-GLUCOPYRANURONOSYLOXY)-3-HYDROXYPHENYL)-3,5,7-TRIHYDROXY-, (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[2-hydroxy-4-(3,5,7-trihydroxy-4-oxo-4H-chromen-2-yl)phenoxy]oxane-2-carboxylic acid, (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[2-hydroxy-4-(3,5,7-trihydroxy-4-oxochromen-2-yl)phenoxy]oxane-2-carboxylic acid, 2-Hydroxy-4-(3,5,7-trihydroxy-4-oxo-4H-1-benzopyran-2-yl)phenyl beta-D-glucopyranosiduronic acid, Quercetin 4a(2)-glucuronide, CHEBI:191433, DTXSID901312827, Q27271345, 2-HYDROXY-4-(3,5,7-TRIHYDROXY-4-OXO-4H-1-BENZOPYRAN-2-YL)PHENYL .BETA.-D-GLUCOPYRANOSIDURONIC ACID |
|---|---|
| Topological Polar Surface Area | 224.0 |
| Hydrogen Bond Donor Count | 8.0 |
| Inchi Key | OUQZCILJSVDJFB-JENRNSKYSA-N |
| Rotatable Bond Count | 4.0 |
| State | Solid |
| Synonyms | 2-Hydroxy-4-(3,5,7-trihydroxy-4-oxo-4H-1-benzopyran-2-yl)phenyl beta-D-glucopyranosiduronic acid, Quercetin 4'-glucuronide, Quercetin 4'-O-glucuronide |
| Heavy Atom Count | 34.0 |
| Compound Name | Quercetin 4'-glucuronide |
| Description | Constituent of guava. Quercetin 4'-glucuronide is found in fruits and guava. |
| Exact Mass | 478.075 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 478.075 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 829.0 |
| Hydrogen Bond Acceptor Count | 13.0 |
| Molecular Weight | 478.4 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Enzyme Uniprot Id | P06133, P22310, P16662, P22309, O60656, P19224 |
| Defined Atom Stereocenter Count | 5.0 |
| Iupac Name | (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[2-hydroxy-4-(3,5,7-trihydroxy-4-oxochromen-2-yl)phenoxy]oxane-2-carboxylic acid |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C21H18O13/c22-7-4-9(24)12-11(5-7)32-18(15(27)13(12)25)6-1-2-10(8(23)3-6)33-21-17(29)14(26)16(28)19(34-21)20(30)31/h1-5,14,16-17,19,21-24,26-29H,(H,30,31)/t14-,16-,17+,19-,21+/m0/s1 |
| Smiles | C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O |
| Xlogp | 0.6 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C21H18O13 |
- 1. Outgoing r'ship
FOUND_INto/from Psidium Guajava (Plant) Rel Props:Source_db:fooddb_chem_all