| Record Information |
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| Version | 1.0 |
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| Creation date | 2018-04-10 12:30:08 UTC |
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| Update date | 2018-04-27 10:19:13 UTC |
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| FoodComEx ID | PC001106 |
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| FoodDB Record | FDB013879 |
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| Chemical Information |
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| Name | Phloroglucinol |
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| Description | Phloroglucinol is soluble (in water) and a very weakly acidic compound (based on its pKa). It is a phenol derivative with antispasmodic properties that is used primarily as a laboratory reagent. Gut microbiota metabolite of flavonoids such as quercetin or hesperetin |
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| CAS Number | 108-73-6 |
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| Structure | |
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| Synonyms | | Synonym | Source |
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| 1,3,5-Trihydroxybenzene | db_source | | Dilospan S | db_source | | Phloroglucin | db_source | | Phloroglucinol | db_source | | Spasfon-Lyoc | db_source |
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| Chemical Formula | C6H6O3 |
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| IUPAC name | benzene-1,3,5-triol |
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| InChI Identifier | InChI=1S/C6H6O3/c7-4-1-5(8)3-6(9)2-4/h1-3,7-9H |
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| InChI Key | QCDYQQDYXPDABM-UHFFFAOYSA-N |
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| Isomeric SMILES | OC1=CC(O)=CC(O)=C1 |
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| Average Molecular Weight | 126.11 |
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| Monoisotopic Molecular Weight | 126.031694058 |
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| Chemical Taxonomy |
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| Description | Belongs to the class of organic compounds known as phloroglucinols and derivatives. Phloroglucinols and derivatives are compounds containing a phloroglucinol (benzene-1,3,5-triol) moiety, which consists of a benzene ring bearing one hydroxyl group at positions 1,3, and 5. |
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| Kingdom | Organic compounds |
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| Super Class | Benzenoids |
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| Class | Phenols |
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| Sub Class | Benzenetriols and derivatives |
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| Direct Parent | Phloroglucinols and derivatives |
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| Alternative Parents | |
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| Substituents | - Phloroglucinol derivative
- 1-hydroxy-4-unsubstituted benzenoid
- 1-hydroxy-2-unsubstituted benzenoid
- Monocyclic benzene moiety
- Polyol
- Organic oxygen compound
- Hydrocarbon derivative
- Organooxygen compound
- Aromatic homomonocyclic compound
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| Molecular Framework | Aromatic homomonocyclic compounds |
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| External Descriptors | |
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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 | Not Available | |
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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 | D576 |
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| Cayman Chemical | 23223 |
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| Glentham | GT4554 |
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| Toronto Research Chemicals | P340000 |
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