| Record Information |
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| Version | 1.0 |
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| Creation date | 2017-01-17 12:50:49 UTC |
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| Update date | 2017-01-17 12:50:49 UTC |
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| FoodComEx ID | PC001024 |
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| FoodDB Record | Not Available |
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| Chemical Information |
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| Name | 4-O-beta-D-Glucuronyl-caffeic acid |
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| Description | One of the main circulating metabolites of caffeic acid and its dietary derivatives
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| CAS Number | Not Available |
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| Structure | |
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| Synonyms | | Synonym | Source |
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| caffeic acid 4-O-beta-D-glucuronide | FoodComEx |
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| Chemical Formula | Not Available |
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| IUPAC name | Not Available |
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| InChI Identifier | InChI=1S/C15H16O10/c16-7-5-6(2-4-9(17)18)1-3-8(7)24-15-12(21)10(19)11(20)13(25-15)14(22)23/h1-5,10-13,15-16,19-21H,(H,17,18)(H,22,23)/b4-2+/t10-,11-,12?,13?,15+/m0/s1 |
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| InChI Key | LTGOIJNQWZWJRF-GVRDKZKWSA-N |
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| Isomeric SMILES | OC1[C@H](OC2=CC=C(\C=C\C(O)=O)C=C2O)OC([C@@H](O)[C@@H]1O)C(O)=O |
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| Average Molecular Weight | 356.283 |
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| Monoisotopic Molecular Weight | 356.074346715 |
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| Chemical Taxonomy |
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| Class | Hydroxycinnamic acid |
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| Family | Not Available |
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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 | S. Galland, N. Rakotomanomana, C. Dufour, N. Mora, O. Dangles, Org. Biomol. Chem. 2008, 6, 4253-4260. |
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| Production Method Reference File | Not Available |
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| Quantity Available | Production upon request, in g |
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| Delivery Time | Not Available |
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| Storage Form | amorphous solid |
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| Storage Conditions | -18°C |
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| Stability | High |
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| Purity | >90% |
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| Spectra |
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| Spectral Data Upon Request | 1H NMR, 13C NMR |
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| Provider Information |
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| Contact Name | Contact Institution | Contact Email |
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| Olivier Dangles | University of Avignon, Sécurité et Qualité des Produits d'Origine Végétale, Campus JH Fabre 301 rue Baruch de Spinoza, BP 21239, Cedex 9,, Avignon , FR, 84916 | olivier.dangles@univ-avignon.fr |
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