| Record Information |
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| Version | 1.0 |
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| Creation date | 2017-01-12 15:52:51 UTC |
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| Update date | 2017-01-17 13:49:42 UTC |
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| FoodComEx ID | PC001022 |
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| FoodDB Record | Not Available |
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| Chemical Information |
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| Name | (R)-5-(3-hydroxybenzyl)dihydrofuran-2(3H)-one O-glucuronide (a/b-D anomeric mixtures) |
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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 hybrid (microbial-human) origin.
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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/C17H20O10/c18-8-3-7(4-9-1-2-11(19)25-9)5-10(6-8)26-17-14(22)12(20)13(21)15(27-17)16(23)24/h3,5-6,9,12-15,17-18,20-22H,1-2,4H2,(H,23,24)/t9-,12?,13?,14?,15?,17?/m1/s1 |
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| InChI Key | RUSMDDXSDLDLKU-HJFLZBCLSA-N |
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| Isomeric SMILES | OC1C(O)C(OC2=CC(O)=CC(C[C@H]3CCC(=O)O3)=C2)OC(C1O)C(O)=O |
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| Average Molecular Weight | 384.337 |
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| Monoisotopic Molecular Weight | 384.105646844 |
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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 | nd | FoodComEx |
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| Experimental Water Solubility | nd | FoodComEx |
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| Melting Point | nd | FoodComEx |
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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.
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| Production Data |
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| Production Method | chemical synthesis |
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| Production Method Reference | paper in preparatoin |
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| Production Method Reference File | Not Available |
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| Quantity Available | 2.5 to uppon request mg |
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| Delivery Time | Variable (enquire for details) |
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| Storage Form | amorphous solid |
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| Storage Conditions | -18°C |
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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 | 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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