| Record Information |
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| Version | 1.0 |
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| Creation Date | 2020-03-10 17:01:28 UTC |
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| Update Date | 2020-05-11 20:27:28 UTC |
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| BMDB ID | BMDB0096117 |
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| Secondary Accession Numbers | |
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| Metabolite Identification |
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| Common Name | Quercetin-3'-glucuronide |
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| Description | Quercetin-3'-glucuronide belongs to the class of organic compounds known as tyrosine and derivatives. Tyrosine and derivatives are compounds containing tyrosine or a derivative thereof resulting from reaction of tyrosine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. Based on a literature review very few articles have been published on Quercetin-3'-glucuronide. |
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| Structure | |
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| Synonyms | | Value | Source |
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| Quercetin-3'-O-glucuronide | HMDB | | 3,4,5-Trihydroxy-6-[2-hydroxy-5-(3,5,7-trihydroxy-4-oxo-3,4-dihydro-2H-1-benzopyran-2-yl)phenoxy]oxane-2-carboxylate | HMDB |
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| Chemical Formula | C21H20O13 |
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| Average Molecular Weight | 480.3757 |
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| Monoisotopic Molecular Weight | 480.090390726 |
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| IUPAC Name | 3,4,5-trihydroxy-6-[2-hydroxy-5-(3,5,7-trihydroxy-4-oxo-3,4-dihydro-2H-1-benzopyran-2-yl)phenoxy]oxane-2-carboxylic acid |
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| Traditional Name | 3,4,5-trihydroxy-6-[2-hydroxy-5-(3,5,7-trihydroxy-4-oxo-2,3-dihydro-1-benzopyran-2-yl)phenoxy]oxane-2-carboxylic acid |
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| CAS Registry Number | Not Available |
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| SMILES | OC1C(O)C(OC2=C(O)C=CC(=C2)C2OC3=CC(O)=CC(O)=C3C(=O)C2O)OC(C1O)C(O)=O |
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| InChI Identifier | InChI=1S/C21H20O13/c22-7-4-9(24)12-11(5-7)32-18(15(27)13(12)25)6-1-2-8(23)10(3-6)33-21-17(29)14(26)16(28)19(34-21)20(30)31/h1-5,14-19,21-24,26-29H,(H,30,31) |
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| InChI Key | HXJMVCQRRSNMPB-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as tyrosine and derivatives. Tyrosine and derivatives are compounds containing tyrosine or a derivative thereof resulting from reaction of tyrosine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. |
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| Kingdom | Organic compounds |
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| Super Class | Organic acids and derivatives |
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| Class | Carboxylic acids and derivatives |
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| Sub Class | Amino acids, peptides, and analogues |
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| Direct Parent | Tyrosine and derivatives |
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| Alternative Parents | |
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| Substituents | - Tyrosine or derivatives
- Phenylalanine or derivatives
- Alpha-amino acid ester
- Amphetamine or derivatives
- 1-hydroxy-2-unsubstituted benzenoid
- Fatty acid ester
- Phenol
- Aralkylamine
- Monocyclic benzene moiety
- Fatty acyl
- Benzenoid
- Methyl ester
- Carboxylic acid ester
- Monocarboxylic acid or derivatives
- Hydrocarbon derivative
- Organooxygen compound
- Organonitrogen compound
- Primary aliphatic amine
- Organic oxide
- Organic nitrogen compound
- Carbonyl group
- Organopnictogen compound
- Organic oxygen compound
- Amine
- Primary amine
- Aromatic homomonocyclic compound
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| Molecular Framework | Aromatic homomonocyclic 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 | Not Available |
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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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