Quercetin-3β-D-glucoside
Quercetin-3β-D-glucoside Structure
Systematic / IUPAC Name: 2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl β-D-glucopyranoside
ID: Reference1472
Other Names:
4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-(3,4-dihydroxyphenyl)-3-(β-D-glucopyranosyloxy)-;
2-(3,4-Dihydroxyphenyl)-3-(β-D-glucopyranosyloxy)-5,7-dihydroxy-4H-1-benzopyran-4-one;
2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one;
Isoquercetin;
Hirsutrin
; more
Formula: C21H20O12
Class: Endogenous Metabolites
Spectral Data
Quercetin-3β-D-glucoside mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Available MS Data
| Used Instruments | Orbitrap Elite; Orbitrap Fusion Lumos with ETD LBP |
| No. of Spectral Trees | 5 |
| No. of Spectra | 7215 |
| Tandem Spectra | MS1, MS2, MS3, MS4, MS5, MS6, MS7 |
| Ionization Methods | ESI; NSI |
| Analyzers | IT; FT |
| Last Modification | 12/7/2015 12:55:43 PM |
Identificators
| InChI | InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18-,21+/m1/s1 |
| InChI Key | OVSQVDMCBVZWGM-QSOFNFLRSA-N |
| Canonical SMILES | C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O)O |
| CAS | 482359 |
| Splash | |
| Other Names |
4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-(3,4-dihydroxyphenyl)-3-(β-D-glucopyranosyloxy)-; 2-(3,4-Dihydroxyphenyl)-3-(β-D-glucopyranosyloxy)-5,7-dihydroxy-4H-1-benzopyran-4-one; 2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one; Isoquercetin; Hirsutrin; 3-Glucosylquercetin; Contigoside B; Isotrifoliin |
In Other Databases
| ChEBI | CHEBI:68352 |
| HMDb | HMDB37362 |
| ChEMBL | CHEMBL250450 |
| ChemIDPlus | 000482359 |
| PubChem | 5280804 |
| ChemSpider | 4444361 |
| Wikipedia | Isoquercetin |
| KEGG | C05623 |