| Record Information |
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| Version | 1.0 |
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| Creation date | 2018-04-10 11:38:09 UTC |
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| Update date | 2018-04-17 12:16:25 UTC |
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| FoodComEx ID | PC001071 |
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| FoodDB Record | FDB017114 |
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| Chemical Information |
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| Name | Epicatechin 3-gallate |
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| Description | Epicatechin 3-gallate is found primarily in tea but can be found in other foods. |
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| CAS Number | 1257-08-5 |
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| Structure | |
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| Synonyms | | Synonym | Source |
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| (-)-cis-3,3',4',5,7-Pentahydroxyflavane 3-gallate | biospider | | (-)-cis-3,3',4',5,7-Pentahydroxyflavane 3-gallic acid | Generator | | (-)-Epicatechin 3-gallate | manual | | (-)-Epicatechin 3-O-gallate | manual | | (-)-Epicatechin gallate | biospider | | (-)-Epicatechin-3-gallate | biospider | | (-)-Epicatechin-3-O-gallate | biospider | | 3-Gallate(-)-epicatechol | ChEBI | | 3-Gallic acid(-)-epicatechol | Generator | | 3-O-Galloylepicatechin | db_source | | ECG | biospider | | Epicatechin 3-gallate | manual | | Epicatechin gallate | db_source | | Epicatechin gallate, (2R-cis)-isomer | biospider | | Epicatechol, 3-gallate, (-)- | biospider | | Epicatechol, gallate | biospider | | L-Epicatechin gallate | biospider | | Teatannin | db_source |
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| Chemical Formula | C22H18O10 |
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| IUPAC name | (2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate |
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| InChI Identifier | InChI=1S/C22H18O10/c23-11-6-14(25)12-8-19(32-22(30)10-4-16(27)20(29)17(28)5-10)21(31-18(12)7-11)9-1-2-13(24)15(26)3-9/h1-7,19,21,23-29H,8H2/t19-,21-/m1/s1 |
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| InChI Key | LSHVYAFMTMFKBA-TZIWHRDSSA-N |
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| Isomeric SMILES | OC1=CC(O)=C2C[C@@H](OC(=O)C3=CC(O)=C(O)C(O)=C3)[C@H](OC2=C1)C1=CC=C(O)C(O)=C1 |
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| Average Molecular Weight | 442.376 |
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| Monoisotopic Molecular Weight | 442.08999678 |
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| Chemical Taxonomy |
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| Class | Polyphenols |
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| Family | Flavan-3-ols |
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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 | Mp 257-258° (253°) | DFC |
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| Foods of Origin |
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| Tea |
| Production Data |
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| Production Method | commercial |
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| Production Method Reference | Not Available |
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| Production Method Reference File | Not Available |
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| Quantity Available | 1 to 2 mg |
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| Delivery Time | 2 weeks |
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| Storage Form | powder |
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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 | Not Available |
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| Provider Information |
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| Contact Name | Contact Institution | Contact Email |
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| Claudine Manach | INRAE, Human Nutrition, Research Center Clermont-Auvergne-Rhône-Alpes, Clermont-Ferrand, FR, F-63122 | claudine.manach@inra.fr |
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| Commercial Vendors |
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| AKSci | Q429 |
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| Cayman Chemical | 11808 |
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| Toronto Research Chemicals | E582265 |
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