| Record Information |
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| Version | 1.0 |
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| Creation date | 2017-01-17 15:28:19 UTC |
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| Update date | 2017-01-17 15:28:19 UTC |
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| FoodComEx ID | PC001044 |
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| FoodDB Record | Not Available |
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| Chemical Information |
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| Name | 4′-O-methyl(epi)catechin |
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| Description | (Epi)catechin in the human intestinal tract is largely metabolized and distributed as conjugated derivative. 4´-O-methyl(epi)catechin is one of the main metabolite. |
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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/C16H16O6.H2O/c1-21-14-3-2-8(4-12(14)19)16-13(20)7-10-11(18)5-9(17)6-15(10)22-16;/h2-6,13,16-20H,7H2,1H3;1H2/t13-,16-;/m1./s1 |
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| InChI Key | SPGGKZQUGAOSOR-OALZAMAHSA-N |
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| Isomeric SMILES | O.[H][C@@]1(O)CC2=C(O)C=C(O)C=C2O[C@]1([H])C1=CC(O)=C(OC)C=C1 |
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| Average Molecular Weight | 322.313 |
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| Monoisotopic Molecular Weight | 322.10525292 |
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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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