| Record Information |
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| Version | 1.0 |
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| Creation date | 2018-04-16 08:39:42 UTC |
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| Update date | 2018-04-16 20:37:13 UTC |
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| FoodComEx ID | PC001126 |
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| FoodDB Record | FDB001094 |
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| Chemical Information |
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| Name | Umbelliferone |
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| Description | Umbelliferone occurs in many familiar plants from the Apiaceae (Umbelliferae) family such as carrot, coriander and garden angelica. |
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| CAS Number | 93-35-6 |
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| Structure | |
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| Synonyms | | Synonym | Source |
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| β-umbelliferone | biospider | | 2H-1-Benzopyran-2-one, 7-hydroxy- | biospider | | 7-Hydroxy-2H-1-benzopyran-2-one | ChEBI | | 7-Hydroxy-2H-chromen-2-one | biospider | | 7-Hydroxy-coumarin | HMDB | | 7-Hydroxycoumarin | db_source | | 7-hydroxycoumarin sulfate | biospider | | 7-Hydroxycoumarin sulphate | HMDB | | 7-hydroxycoumarin, 14C-labeled | biospider | | 7-Oxycoumarin | biospider | | b-Umbelliferone | Generator | | beta -Umbelliferone | HMDB | | Beta-umbelliferone | biospider | | Coumarin, 7-hydroxy- | biospider | | Hydrangin | db_source | | Hydrangine | biospider | | Skimmetin | db_source | | Skimmetine | biospider | | Umbelliferon | biospider | | Umbelliferone | db_source | | Umbelliferone (hydrangin, skimmetin) | biospider | | β-umbelliferone | Generator |
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| Chemical Formula | C9H6O3 |
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| IUPAC name | 7-hydroxy-2H-chromen-2-one |
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| InChI Identifier | InChI=1S/C9H6O3/c10-7-3-1-6-2-4-9(11)12-8(6)5-7/h1-5,10H |
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| InChI Key | ORHBXUUXSCNDEV-UHFFFAOYSA-N |
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| Isomeric SMILES | OC1=CC2=C(C=C1)C=CC(=O)O2 |
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| Average Molecular Weight | 162.144 |
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| Monoisotopic Molecular Weight | 162.031694053 |
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| Chemical Taxonomy |
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| Class | Polyphenols |
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| Family | Coumarins |
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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 230-232° (223-224°, 227-228°) | 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 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 | D990 |
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| AKSci | J90242 |
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| Glentham | GE8775 |
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| Toronto Research Chemicals | H924875 |
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