| Record Information |
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| Version | 1.0 |
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| Creation date | 2018-04-10 11:36:22 UTC |
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| Update date | 2018-04-17 12:12:14 UTC |
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| FoodComEx ID | PC001070 |
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| FoodDB Record | FDB000693 |
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| Chemical Information |
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| Name | Diosmetin 7-rutinoside |
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| Description | Diosmetin 7-rutinoside, or diosmin, is found in parsley. |
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| CAS Number | 520-27-4 |
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| Structure | |
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| Synonyms | | Synonym | Source |
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| 5,7,3'-Trihydroxy-4'-methoxyflavone 7-O-rutinoside | biospider | | Barosmin | db_source | | Daflon | db_source | | Diosmetin 7-O-rutinoside | biospider | | Diosmetin 7-rutinoside | db_source | | Diosmetin-7-O-rutinoside | HMDB | | Diosmil | biospider | | Diosmin, BAN, INN | db_source | | Diosmine | HMDB | | Diosminum | HMDB | | Diovenor | HMDB | | Flebosten | HMDB | | Luteolin 4'-methyl ether 7-rutinoside | biospider | | Rioven | biospider | | Salinigricoflavonoloside | db_source | | Tovene | biospider | | Ven-Detrex | db_source | | Veno-v | HMDB | | Venosmine | biospider |
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| Chemical Formula | C28H32O15 |
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| IUPAC name | 5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-4H-chromen-4-one |
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| InChI Identifier | InChI=1S/C28H32O15/c1-10-21(32)23(34)25(36)27(40-10)39-9-19-22(33)24(35)26(37)28(43-19)41-12-6-14(30)20-15(31)8-17(42-18(20)7-12)11-3-4-16(38-2)13(29)5-11/h3-8,10,19,21-30,32-37H,9H2,1-2H3 |
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| InChI Key | GZSOSUNBTXMUFQ-UHFFFAOYSA-N |
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| Isomeric SMILES | COC1=C(O)C=C(C=C1)C1=CC(=O)C2=C(O1)C=C(OC1OC(COC3OC(C)C(O)C(O)C3O)C(O)C(O)C1O)C=C2O |
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| Average Molecular Weight | 608.5447 |
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| Monoisotopic Molecular Weight | 608.174120354 |
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| Chemical Taxonomy |
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| Class | Polyphenols |
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| Family | Flavones |
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| Physico-Chemical Properties - Experimental |
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| Property | Value | Reference |
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| Experimental logP | 0.14 | PERRISSOUD,D & TESTA,B (1986) |
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| Experimental Water Solubility | Not Available | |
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| Melting Point | Mp 280 dec. (in vacuo) | DFC |
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| Foods of Origin |
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| Parsley |
| 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 | RT |
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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 | H654 |
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| AKSci | J10091 |
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| AKSci | J40039 |
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| AKSci | HMDB0029548 |
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| Cayman Chemical | 19848 |
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| Glentham | GC4611 |
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| MetaSci | HMDB0029548 |
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| Toronto Research Chemicals | D485200 |
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