| Record Information |
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| Version | 1.0 |
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| Creation date | 2018-04-10 11:40:03 UTC |
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| Update date | 2018-04-27 10:35:43 UTC |
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| FoodComEx ID | PC001073 |
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| FoodDB Record | Not Available |
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| Chemical Information |
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| Name | Epicatechin |
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| Description | Widespread flavanol found in a variety of foodstuffs esp. apples, apricots, blackberries, broad beans, cherries, chocolate, grapes, raspberries, red wine, strawberries and tea |
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| CAS Number | 490-46-0 |
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| Structure | |
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| Synonyms | | Synonym | Source |
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| (-)-(2R:3R)-5,7,3',4'-Tetrahydroxyflavan-3-ol | biospider | | (-)-cis-3,3',4',5,7-Pentahydroxyflavane | biospider | | (-)-Epicatechin | manual | | (-)-Epicatechol | biospider | | (2R,3R)-(-)-Epicatechin | biospider | | 2,3-cis-Epicatechin | biospider | | 3,3',4',5,7-Pentahydroxyflavan; (-)-cis-form | db_source | | 3,3',4',5,7-Pentahydroxyflavane | HMDB | | alpha-Catechin | HMDB | | Colatein | db_source | | Epicatechin | db_source | | Epicatechol | db_source | | Kakaol | db_source | | L-Acacatechin | manual | | L-Epicatechin | biospider | | L-Epicatechol | biospider | | L(-)-Epicatechin | HMDB |
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| Chemical Formula | Not Available |
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| IUPAC name | Not Available |
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| InChI Identifier | InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15-/m0/s1 |
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| InChI Key | PFTAWBLQPZVEMU-ZFWWWQNUSA-N |
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| Isomeric SMILES | O[C@H]1CC2=C(O[C@H]1C1=CC=C(O)C(O)=C1)C=C(O)C=C2O |
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| Average Molecular Weight | 290.2681 |
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| Monoisotopic Molecular Weight | 290.07903818 |
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| Chemical Taxonomy |
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| Description | Belongs to the class of organic compounds known as catechins. Catechins are compounds containing a catechin moiety, which is a 3,4-dihydro-2-chromene-3,5.7-Tiol. |
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| Kingdom | Organic compounds |
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| Super Class | Phenylpropanoids and polyketides |
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| Class | Flavonoids |
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| Sub Class | Flavans |
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| Direct Parent | Catechins |
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| Alternative Parents | |
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| Substituents | - Catechin
- 3'-hydroxyflavonoid
- 3-hydroxyflavonoid
- 4'-hydroxyflavonoid
- 5-hydroxyflavonoid
- 7-hydroxyflavonoid
- Hydroxyflavonoid
- Chromane
- Benzopyran
- 1-benzopyran
- Catechol
- 1-hydroxy-4-unsubstituted benzenoid
- 1-hydroxy-2-unsubstituted benzenoid
- Alkyl aryl ether
- Phenol
- Benzenoid
- Monocyclic benzene moiety
- Secondary alcohol
- Organoheterocyclic compound
- Oxacycle
- Polyol
- Ether
- Organic oxygen compound
- Alcohol
- Hydrocarbon derivative
- Organooxygen compound
- Aromatic heteropolycyclic compound
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| Molecular Framework | Aromatic heteropolycyclic compounds |
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| External Descriptors | |
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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 242° | DFC |
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| Foods of Origin |
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| apples, apricots, blackberries, broad beans, cherries, chocolate, grapes, raspberries, red wine, strawberries and 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 | >98% |
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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 | P692 |
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| Cayman Chemical | 11807 |
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| Glentham | GP4379 |
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| MetaSci | HMDB0001871 |
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| Sigma-Aldrich | HMDB0001871 |
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| Toronto Research Chemicals | E582260 |
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