| Record Information |
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| Version | 1.0 |
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| Creation date | 2017-01-17 15:15:15 UTC |
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| Update date | 2017-01-17 15:15:15 UTC |
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| FoodComEx ID | PC001041 |
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| FoodDB Record | Not Available |
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| Chemical Information |
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| Name | Quercetin-4'-O-sulfate |
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| Description | Quercetin-4'-O-sulfate is one of the main metabolites of quercetin
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| CAS Number | Not Available |
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| Structure | |
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| Synonyms | |
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| Chemical Formula | Not Available |
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| IUPAC name | Not Available |
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| InChI Identifier | InChI=1S/C15H10O10S/c16-7-4-9(18)12-11(5-7)24-15(14(20)13(12)19)6-1-2-10(8(17)3-6)25-26(21,22)23/h1-5,16-18,20H,(H,21,22,23) |
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| InChI Key | WNILMGLHADIIDH-UHFFFAOYSA-N |
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| Isomeric SMILES | OC1=CC(O)=C2C(=O)C(O)=C(OC2=C1)C1=CC(O)=C(OS(O)(=O)=O)C=C1 |
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| Average Molecular Weight | 382.3 |
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| Monoisotopic Molecular Weight | 381.999467696 |
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| Chemical Taxonomy |
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| Class | Flavonoid |
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| Family | flavonols |
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| Physico-Chemical Properties - Experimental |
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| Property | Value | Reference |
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| Experimental logP | Not Available | |
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| Experimental Water Solubility | Not Available | |
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| Melting Point | Not Available | |
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| Foods of Origin |
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| Food | Content Range | Average | Reference |
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| Food | | | Reference |
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| Production Data |
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| Production Method | chemical synthesis |
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| Production Method Reference | Dueñas, M.; Surco-Laos, F.; Gonzalez-Manzano, S.; González-Paramás, A.M.; Santos-Buelga C.. Antioxidant properties of major quercetin metabolites. European Food Research and Technology, 2011, 232: 103-111. |
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| Production Method Reference File | Not Available |
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| Quantity Available | Production upon request, in mg |
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| Delivery Time | Not Available |
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| Storage Form | solid |
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| Storage Conditions | RT |
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| Stability | Not Available |
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| Purity | >90% |
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| Spectra |
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| Spectral Data Upon Request | 1D NMR, 2D NMR, LC-MS, LC-MS/MS, UV |
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| Provider Information |
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| Contact Name | Contact Institution | Contact Email |
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| Celestino Santos-Buelga | Universidad de Salamanca, Area de Nutrición y Bromatología, Facultad de Farmacia - Campus Miguel de Unamuno, Salamanca, ES, 37007 | csb@usal.es |
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