| Record Information |
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| Version | 1.0 |
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| Creation date | 2017-01-17 14:28:49 UTC |
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| Update date | 2017-01-17 14:28:49 UTC |
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| FoodComEx ID | PC001039 |
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| FoodDB Record | Not Available |
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| Chemical Information |
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| Name | (Rac)-5-(3,4,5-trihydroxybenzyl)dihydrofuran-2(3H)-one X |
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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 | 509078-28-8 |
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| Structure | |
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| Synonyms | | Synonym | Source |
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| (±)-5(3,4,5-trihydroxyphenyl)-g-valerolactone (M4) | 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/C11H12O5/c12-8-4-6(5-9(13)11(8)15)3-7-1-2-10(14)16-7/h4-5,7,12-13,15H,1-3H2/t7-/m1/s1 |
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| InChI Key | CZVAQLJEUUFQCH-SSDOTTSWSA-N |
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| Isomeric SMILES | OC1=CC(C[C@H]2CCC(=O)O2)=CC(O)=C1O |
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| Average Molecular Weight | 224.212 |
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| Monoisotopic Molecular Weight | 224.068473486 |
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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 green tea, among other sources of (epi)gallocatechins. |
| 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 | 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 | 4°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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