| Record Information |
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| Version | 1.0 |
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| Creation Date | 2020-03-10 17:00:07 UTC |
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| Update Date | 2020-05-11 20:27:25 UTC |
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| BMDB ID | BMDB0096034 |
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| Secondary Accession Numbers | |
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| Metabolite Identification |
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| Common Name | 5-Hydroxytryptophol glucuronide |
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| Description | 5-Hydroxytryptophol 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. Based on a literature review very few articles have been published on 5-Hydroxytryptophol glucuronide. |
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| Structure | |
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| Synonyms | | Value | Source |
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| 5 Hydroxytryptophol glucuronide | HMDB | | 5-Hydroxytryptophol glucuronide | MeSH |
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| Chemical Formula | C16H21NO7 |
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| Average Molecular Weight | 339.3404 |
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| Monoisotopic Molecular Weight | 339.131802031 |
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| IUPAC Name | (2R,3R,4S,5S,6R)-2-{[3-(2-hydroxyethyl)-1H-indol-5-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol |
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| Traditional Name | (2R,3R,4S,5S,6R)-2-{[3-(2-hydroxyethyl)-1H-indol-5-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol |
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| CAS Registry Number | Not Available |
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| SMILES | OCCC1=CNC2=C1C=C(O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C=C2 |
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| InChI Identifier | InChI=1S/C16H21NO7/c18-4-3-8-6-17-11-2-1-9(5-10(8)11)23-16-15(22)14(21)13(20)12(7-19)24-16/h1-2,5-6,12-22H,3-4,7H2/t12-,13-,14+,15-,16+/m1/s1 |
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| InChI Key | MYNVMBICAGQOMG-LJIZCISZSA-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
- Hexose monosaccharide
- O-glycosyl compound
- 3-alkylindole
- Indole
- Indole or derivatives
- Monosaccharide
- Oxane
- Substituted pyrrole
- Benzenoid
- Heteroaromatic compound
- Pyrrole
- Secondary alcohol
- Polyol
- Azacycle
- Oxacycle
- Acetal
- Organoheterocyclic compound
- Alcohol
- Primary alcohol
- Organonitrogen compound
- Hydrocarbon derivative
- Organopnictogen compound
- Organic nitrogen compound
- 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 | 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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