| Record Information |
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| Version | 1.0 |
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| Creation date | 2018-04-10 11:55:56 UTC |
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| Update date | 2018-04-27 10:31:29 UTC |
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| FoodComEx ID | PC001085 |
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| FoodDB Record | FDB002680 |
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| Chemical Information |
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| Name | Hesperidin |
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| Description | Hesperidin is a flavanone glycoside (flavonoid) found abundantly in citrus fruits. Its aglycone form is called hesperetin. |
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| CAS Number | 520-26-3 |
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| Structure | |
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| Synonyms | | Synonym | Source |
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| (2S)-Hesperidin | biospider | | (S)-(-)-Hesperidin | biospider | | 4H-1-Benzopyran-4-one, 7-[[6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-2,3-dihydro-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-, (2S)- | manual | | Atripliside B | biospider | | Cirantin | db_source | | Ciratin | biospider | | Cirontin | db_source | | Flavanone, 3',5,7-trihydroxy-4'-methoxy-, 7-(6-O-a-L-rhamnosyl-D-glucoside) (7ci) | HMDB | | Flavanone, 3',5,7-trihydroxy-4'-methoxy-, 7-(6-O-alpha-L-rhamnosyl-delta-glucoside) (7ci) | HMDB | | Hesper bitabs | HMDB | | Hesperetin 7-O-rhamnoglucoside | biospider | | Hesperetin 7-O-rutinoside | biospider | | Hesperetin 7-rhamnoglucoside | biospider | | Hesperetin 7-rutinoside | db_source | | Hesperetin-7-rutinoside | HMDB | | Hesperetin-rutinoside | HMDB | | Hesperidin | db_source | | Hesperidin, (2S)- | biospider | | Hesperidin, (S)-(-)- | biospider | | Hesperidine | HMDB | | Hesperidoside | db_source | | Hesperitin-7-rhamnoglucoside | HMDB |
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| Chemical Formula | C28H34O15 |
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| IUPAC name | (2S)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-3,4-dihydro-2H-1-benzopyran-4-one |
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| InChI Identifier | InChI=1S/C28H34O15/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/h3-7,10,17,19,21-30,32-37H,8-9H2,1-2H3/t10-,17-,19+,21-,22+,23+,24-,25+,26+,27+,28+/m0/s1 |
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| InChI Key | QUQPHWDTPGMPEX-QJBIFVCTSA-N |
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| Isomeric SMILES | COC1=CC=C(C=C1O)[C@@H]1CC(=O)C2=C(O1)C=C(O[C@@H]1O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]1O)C=C2O |
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| Average Molecular Weight | 610.5606 |
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| Monoisotopic Molecular Weight | 610.189770418 |
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| Chemical Taxonomy |
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| Class | Polyphenols |
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| Family | Flavanones |
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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 258-262° (softens at 250°) | DFC |
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| Foods of Origin |
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| Orange, citrus fruit |
| 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 | H992 |
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| Cayman Chemical | 18646 |
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| Glentham | GC6376 |
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| MetaSci | HMDB0003265 |
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| Tokyo Chemical Industry | HMDB0003265 |
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| Toronto Research Chemicals | H281185 |
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