| Record Information |
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| Version | 1.0 |
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| Creation date | 2018-04-10 11:40:58 UTC |
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| Update date | 2018-04-17 12:14:16 UTC |
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| FoodComEx ID | PC001074 |
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| FoodDB Record | FDB012575 |
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| Chemical Information |
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| Name | Ellagic acid |
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| Description | Ellagic acid is a polyphenol found in raspberries, strawberries, cranberries, walnuts, pecans, pomegranates and other plant foods. The antiproliferative and antioxidant properties of ellagic acid have spurred preliminary research into the potential health benefits of ellagic acid consumption. |
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| CAS Number | 476-66-4 |
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| Structure | |
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| Synonyms | | Synonym | Source |
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| 2,3,7,8-Tetrahydroxy[1]benzopyrano[5,4,3-cde][1]benzopyran-5,10-dione | ChEBI | | 2,3,7,8-Tetrahydroxy[1]benzopyrano[5,4,3-cde][1]benzopyran-5,10-dione, 9CI | db_source | | 4,4',5,5',6,6'-Hexahydroxydiphenate 2,6,2',6'-dilactone | Generator | | 4,4',5,5',6,6'-Hexahydroxydiphenic acid 2,6,2',6'-dilactone | ChEBI | | Acide ellagique | ChEBI | | Acido elagico | ChEBI | | Acidum ellagicum | ChEBI | | Alizarin yellow | db_source | | Alizarine yellow | HMDB | | Benzoarate | Generator | | Benzoaric acid | db_source | | Elagostasine | db_source | | Eleagate | HMDB | | Eleagic acid | HMDB | | Ellagate | Generator | | Ellagic acid dihydrate | HMDB | | Ellagic acid hydrate | HMDB | | Ellagsaeure | ChEBI | | Gallogen | HMDB | | Gallogen? | db_source | | Kajidin | db_source | | Lagistase | db_source | | Llagate | HMDB | | Llagic acid | HMDB |
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| Chemical Formula | C14H6O8 |
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| IUPAC name | 6,7,13,14-tetrahydroxy-2,9-dioxatetracyclo[6.6.2.0^{4,16}.0^{11,15}]hexadeca-1(15),4,6,8(16),11,13-hexaene-3,10-dione |
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| InChI Identifier | InChI=1S/C14H6O8/c15-5-1-3-7-8-4(14(20)22-11(7)9(5)17)2-6(16)10(18)12(8)21-13(3)19/h1-2,15-18H |
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| InChI Key | AFSDNFLWKVMVRB-UHFFFAOYSA-N |
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| Isomeric SMILES | OC1=C(O)C2=C3C(=C1)C(=O)OC1=C3C(=CC(O)=C1O)C(=O)O2 |
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| Average Molecular Weight | 302.194 |
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| Monoisotopic Molecular Weight | 302.006267153 |
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| Chemical Taxonomy |
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| Class | Polyphenols |
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| Family | Hydroxybenzoic acids |
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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 360° | DFC |
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| Foods of Origin |
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| Raspberries, strawberries, cranberries, walnuts, pecans, pomegranates and other plant foods |
| 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 5 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 | F740 |
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| AKSci | J11185 |
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| AKSci | J90426 |
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| Cayman Chemical | 10569 |
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| Glentham | GP5363 |
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| Toronto Research Chemicals | E505050 |
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