| Record Information |
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| Version | 1.0 |
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| Creation date | 2018-04-10 12:23:38 UTC |
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| Update date | 2018-04-27 10:22:37 UTC |
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| FoodComEx ID | PC001102 |
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| FoodDB Record | FDB012400 |
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| Chemical Information |
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| Name | Prunetin |
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| Description | Occurs in several Prunus subspecies and Glycyrrhiza glabra (licorice). Prunetin is found in tea, herbs and spices, and sour cherry. |
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| CAS Number | 552-59-0 |
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| Structure | |
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| Synonyms | | Synonym | Source |
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| 4',5-Dihydroxy-7-methoxygenistein | ChEBI | | 4',5-Dihydroxy-7-methoxyisoflavone | ChEBI | | 5-Hydroxy-3-(4-hydroxyphenyl)-7-methoxy-4-benzopyrone | biospider | | 5-Hydroxy-3-(4-hydroxyphenyl)-7-methoxy-4H-1-benzopyran-4-one | ChEBI | | 5-Hydroxy-3-(4-hydroxyphenyl)-7-methoxy-4H-1-benzopyran-4-one, 9CI | db_source | | 5-hydroxy-3-(4-hydroxyphenyl)-7-methoxy-4H-chromen-4-one | biospider | | 5,4'-dihydroxy-7-methoxyisoflavone | biospider | | 7-O-Methyl-genistein | ChEBI | | Isoflavone, 4',5-dihydroxy-7-methoxy- (7CI,8CI) | biospider | | Padmakastein | db_source | | Prunetin | db_source | | Prunusetin | db_source |
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| Chemical Formula | C16H12O5 |
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| IUPAC name | 5-hydroxy-3-(4-hydroxyphenyl)-7-methoxy-4H-chromen-4-one |
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| InChI Identifier | InChI=1S/C16H12O5/c1-20-11-6-13(18)15-14(7-11)21-8-12(16(15)19)9-2-4-10(17)5-3-9/h2-8,17-18H,1H3 |
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| InChI Key | KQMVAGISDHMXJJ-UHFFFAOYSA-N |
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| Isomeric SMILES | COC1=CC2=C(C(O)=C1)C(=O)C(=CO2)C1=CC=C(O)C=C1 |
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| Average Molecular Weight | 284.267 |
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| Monoisotopic Molecular Weight | 284.068473486 |
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| Chemical Taxonomy |
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| Class | Polyphenols |
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| Family | Isoflavones |
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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 246-248° | DFC |
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| Foods of Origin |
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| Food | Content Range | Average | Reference |
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| Food | | | Reference |
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| 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 | Y0172 |
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