| Record Information |
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| Version | 1.0 |
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| Creation date | 2017-01-17 14:10:40 UTC |
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| Update date | 2017-01-17 14:10:40 UTC |
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| FoodComEx ID | PC001037 |
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| FoodDB Record | Not Available |
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| Chemical Information |
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| Name | (R)-5-(3,4-dihydroxybenzyl)dihydrofuran-2(3H)-one |
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| Description | Phenyl-γ-valerolactones are the main compounds derived from the metabolism of flavan-3-ol monomers (i.e. catechins) and oligomers (i.e. proanthocyanidins). This metabolite has microbial origin. |
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| CAS Number | 191666-22-5 for (4R) |
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| Structure | |
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| Synonyms | | Synonym | Source |
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| 5(3,4-dihydroxyphenyl)-g-valerolactone (M6) | 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/C11H12O4/c12-9-3-1-7(6-10(9)13)5-8-2-4-11(14)15-8/h1,3,6,8,12-13H,2,4-5H2/t8-/m1/s1 |
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| InChI Key | ZNXXWTPQHVLMQT-MRVPVSSYSA-N |
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| Isomeric SMILES | OC1=CC=C(C[C@H]2CCC(=O)O2)C=C1O |
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| Average Molecular Weight | 208.213 |
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| Monoisotopic Molecular Weight | 208.073558866 |
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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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| Produced after consumption of apples, cocoa, green tea, red grapes and wines, and some nuts, among other sources of flavan-3-ols. |
| Production Data |
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| Production Method | chemical synthesis |
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| Production Method Reference | Curti, C.; Del Rio,D. et al. Adv. Synth. Catal. 2015 |
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| Production Method Reference File | Not Available |
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| Quantity Available | 5 to 10 mg |
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| Delivery Time | Not Available |
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| Storage Form | solid |
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| Storage Conditions | 4°C |
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| Stability | Not Available |
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| Purity | >95% |
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| Spectra |
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| Spectral Data Upon Request | 1H NMR, 13C NMR, ESI-MS |
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| Provider Information |
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| Contact Name | Contact Institution | Contact Email |
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| Claudio Curti | University of Parma, Department of Food and Drug, Parco Area delle Scienze 27A, Parma, IT, 43124 | claudio.curti@unipr.it | | Daniele Del Rio | University of Parma/ University of Cambridge, Department of Food Science, via Università, 12, Parma, IT, 43121 | daniele.delrio@unipr.it | | Pedro Mena | University of Parma, Department of Food & Drug, Via Volturno 39, Palazzina C, Parma, IT, 43125 | pedromiguel.menaparreno@unipr.it | | Nicoletta Brindani | University of Parma, Department of Pharmacy / Department of Food Science, Parco Area delle Scienze 27A, Parma, IT, 43124 | nicoletta.brindani@studenti.unipr.it |
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