| Record Information |
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| Version | 1.0 |
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| Creation Date | 2020-03-10 17:02:51 UTC |
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| Update Date | 2020-05-11 20:27:46 UTC |
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| BMDB ID | BMDB0096201 |
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| Secondary Accession Numbers | |
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| Metabolite Identification |
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| Common Name | Phenol glucuronide |
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| Description | Phenol glucuronide belongs to the class of organic compounds known as phenolic glycosides. These are organic compounds containing a phenolic structure attached to a glycosyl moiety. Some examples of phenolic structures include lignans, and flavonoids. Among the sugar units found in natural glycosides are D-glucose, L-Fructose, and L rhamnose. Phenol glucuronide is an extremely weak basic (essentially neutral) compound (based on its pKa). These are compounds comprising the glucuronic acid linked to another substance via a glycosidic bond. |
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| Structure | |
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| Synonyms | | Value | Source |
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| Phenyl beta-D-glucopyranosiduronic acid | ChEBI | | Phenyl beta-D-glucosiduronic acid | ChEBI | | Phenyl beta-D-glucuronide | ChEBI | | Phenyl beta-glucuronide | ChEBI | | Phenyl glucuronide | ChEBI | | Phenyl b-D-glucopyranosiduronate | Generator | | Phenyl b-D-glucopyranosiduronic acid | Generator | | Phenyl beta-D-glucopyranosiduronate | Generator | | Phenyl β-D-glucopyranosiduronate | Generator | | Phenyl β-D-glucopyranosiduronic acid | Generator | | Phenyl b-D-glucosiduronate | Generator | | Phenyl b-D-glucosiduronic acid | Generator | | Phenyl beta-D-glucosiduronate | Generator | | Phenyl β-D-glucosiduronate | Generator | | Phenyl β-D-glucosiduronic acid | Generator | | Phenyl b-D-glucuronide | Generator | | Phenyl β-D-glucuronide | Generator | | Phenyl b-glucuronide | Generator | | Phenyl β-glucuronide | Generator | | Phenol O-(b-D-glucuronide) | HMDB | | Phenol O-(β-D-glucuronide) | HMDB |
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| Chemical Formula | C12H14O7 |
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| Average Molecular Weight | 270.2354 |
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| Monoisotopic Molecular Weight | 270.073952802 |
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| IUPAC Name | (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-phenoxyoxane-2-carboxylic acid |
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| Traditional Name | (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-phenoxyoxane-2-carboxylic acid |
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| CAS Registry Number | Not Available |
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| SMILES | O[C@@H]1[C@@H](O)[C@H](OC2=CC=CC=C2)O[C@@H]([C@H]1O)C(O)=O |
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| InChI Identifier | InChI=1S/C12H14O7/c13-7-8(14)10(11(16)17)19-12(9(7)15)18-6-4-2-1-3-5-6/h1-5,7-10,12-15H,(H,16,17)/t7-,8-,9+,10-,12+/m0/s1 |
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| InChI Key | WVHAUDNUGBNUDZ-GOVZDWNOSA-N |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as phenolic glycosides. These are organic compounds containing a phenolic structure attached to a glycosyl moiety. Some examples of phenolic structures include lignans, and flavonoids. Among the sugar units found in natural glycosides are D-glucose, L-Fructose, and L rhamnose. |
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| Kingdom | Organic compounds |
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| Super Class | Organic oxygen compounds |
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| Class | Organooxygen compounds |
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| Sub Class | Carbohydrates and carbohydrate conjugates |
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| Direct Parent | Phenolic glycosides |
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| Alternative Parents | |
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| Substituents | - Phenolic glycoside
- 1-o-glucuronide
- O-glucuronide
- Glucuronic acid or derivatives
- O-glycosyl compound
- Phenoxy compound
- Phenol ether
- Beta-hydroxy acid
- Monocyclic benzene moiety
- Hydroxy acid
- Benzenoid
- Monosaccharide
- Pyran
- Oxane
- Secondary alcohol
- Acetal
- Monocarboxylic acid or derivatives
- Organoheterocyclic compound
- Oxacycle
- Carboxylic acid
- Carboxylic acid derivative
- Polyol
- Carbonyl group
- Hydrocarbon derivative
- Organic oxide
- Alcohol
- Aromatic heteromonocyclic compound
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| Molecular Framework | Aromatic heteromonocyclic compounds |
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| External Descriptors | |
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| Ontology |
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| Status | Expected but not Quantified |
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| Origin | |
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| Biofunction | Not Available |
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| Application | Not Available |
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| Cellular locations | |
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| Physical Properties |
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| State | Not Available |
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| Experimental Properties | | Property | Value | Reference |
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| Melting Point | Not Available | Not Available | | Boiling Point | Not Available | Not Available | | Water Solubility | Not Available | Not Available | | LogP | Not Available | Not Available |
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| Predicted Properties | |
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| Spectra |
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| Spectra | |
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