| Record Information |
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| Version | 1.0 |
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| Creation date | 2017-01-17 15:23:01 UTC |
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| Update date | 2017-01-17 15:23:01 UTC |
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| FoodComEx ID | PC001043 |
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| FoodDB Record | Not Available |
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| Chemical Information |
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| Name | 3′-O-methyl(epi)catechin |
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| Description | (Epi)catechin in the human intestinal tract is largely metabolized and distributed as conjugated derivative; 3´-O-methyl(epi)catechin is one of the main metabolite. |
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| CAS Number | 480-19-3 |
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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/C16H12O7/c1-22-11-4-7(2-3-9(11)18)16-15(21)14(20)13-10(19)5-8(17)6-12(13)23-16/h2-6,17-19,21H,1H3 |
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| InChI Key | IZQSVPBOUDKVDZ-UHFFFAOYSA-N |
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| Isomeric SMILES | COC1=C(O)C=CC(=C1)C1=C(O)C(=O)C2=C(O)C=C(O)C=C2O1 |
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| Average Molecular Weight | 316.2623 |
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| Monoisotopic Molecular Weight | 316.058302738 |
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| Chemical Taxonomy |
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| Class | Flavonoid |
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| Family | Flavan-3-ol |
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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 | Gonzalez-Manzano S , Gonzalez-Paramas A, Santos-Buelga C.; Dueñas, M. Preparation and Characterization of Catechin Sulfates, Glucuronides, and Methylethers with Metabolic Interest. Journal of Agricultural and Food Chemistry. 2009, 57, 1231-1238. |
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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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