| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-10-03 18:22:25 UTC |
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| Update Date | 2020-05-11 20:25:34 UTC |
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| BMDB ID | BMDB0011658 |
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| Secondary Accession Numbers | |
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| Metabolite Identification |
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| Common Name | 2,8-Dihydroxyquinoline-beta-D-glucuronide |
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| Description | 2,8-Dihydroxyquinoline-beta-D-glucuronide belongs to the class of organic compounds known as o-glucuronides. These are glucuronides in which the aglycone is linked to the carbohydrate unit through an O-glycosidic bond. 2,8-Dihydroxyquinoline-beta-D-glucuronide is a moderately basic compound (based on its pKa). |
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| Structure | |
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| Synonyms | | Value | Source |
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| 2,8-Dihydroxyquinoline-b-D-glucuronide | Generator | | 2,8-Dihydroxyquinoline-β-D-glucuronide | Generator | | 2,8-Dihydroxyquinoline-beta-delta-glucuronide | HMDB | | (2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-[(8-hydroxyquinolin-2-yl)oxy]oxane-2-carboxylate | HMDB |
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| Chemical Formula | C15H15NO8 |
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| Average Molecular Weight | 337.2815 |
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| Monoisotopic Molecular Weight | 337.079766461 |
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| IUPAC Name | (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(8-hydroxyquinolin-2-yl)oxy]oxane-2-carboxylic acid |
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| Traditional Name | (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(8-hydroxyquinolin-2-yl)oxy]oxane-2-carboxylic acid |
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| CAS Registry Number | Not Available |
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| SMILES | O[C@H]1[C@H](OC2=NC3=C(C=CC=C3O)C=C2)O[C@@H]([C@@H](O)[C@@H]1O)C(O)=O |
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| InChI Identifier | InChI=1S/C15H15NO8/c17-7-3-1-2-6-4-5-8(16-9(6)7)23-15-12(20)10(18)11(19)13(24-15)14(21)22/h1-5,10-13,15,17-20H,(H,21,22)/t10-,11-,12+,13-,15+/m0/s1 |
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| InChI Key | YQBCNQXCTHWJOK-DKBOKBLXSA-N |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as o-glucuronides. These are glucuronides in which the aglycone is linked to the carbohydrate unit through an O-glycosidic bond. |
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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 | O-glucuronides |
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| Alternative Parents | |
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| Substituents | - 1-o-glucuronide
- O-glucuronide
- Glycosyl compound
- Hydroxyquinoline
- O-glycosyl compound
- 8-hydroxyquinoline
- Quinolone
- Quinoline
- Beta-hydroxy acid
- 1-hydroxy-4-unsubstituted benzenoid
- 1-hydroxy-2-unsubstituted benzenoid
- Hydroxy acid
- Monosaccharide
- Oxane
- Pyran
- Pyridine
- Benzenoid
- Heteroaromatic compound
- Secondary alcohol
- Polyol
- Carboxylic acid derivative
- Oxacycle
- Organoheterocyclic compound
- Azacycle
- Monocarboxylic acid or derivatives
- Carboxylic acid
- Acetal
- Organonitrogen compound
- Organopnictogen compound
- Organic oxide
- Organic nitrogen compound
- Carbonyl group
- Alcohol
- Hydrocarbon derivative
- Aromatic heteropolycyclic compound
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| Molecular Framework | Aromatic heteropolycyclic compounds |
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| External Descriptors | Not Available |
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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 | Not Available |
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| Physical Properties |
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| State | Solid |
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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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