| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-10-03 18:05:07 UTC |
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| Update Date | 2020-05-11 20:25:28 UTC |
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| BMDB ID | BMDB0010362 |
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| Secondary Accession Numbers | |
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| Metabolite Identification |
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| Common Name | 6-Hydroxy-5-methoxyindole glucuronide |
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| Description | 6-Hydroxy-5-methoxyindole 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 6-Hydroxy-5-methoxyindole glucuronide. |
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| Structure | |
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| Synonyms | | Value | Source |
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| 5-Methoxy-1H-indol-6-yl-beta-D-glucopyranosiduronic acid | HMDB | | 5-Methoxy-1H-indol-6-yl-beta-delta-glucopyranosiduronic acid | HMDB | | 5-Methoxyindol-6-yl D-glucosiduronic acid | HMDB | | 6-Hydroxy-5-methoxyindole glucuronoside | HMDB | | 6-H-5-MIG | MeSH, HMDB | | (2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-[(5-methoxy-1H-indol-6-yl)oxy]oxane-2-carboxylate | Generator, HMDB | | 6-Hydroxy-5-methoxyindole glucuronide | MeSH |
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| Chemical Formula | C15H17NO8 |
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| Average Molecular Weight | 339.2974 |
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| Monoisotopic Molecular Weight | 339.095416525 |
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| IUPAC Name | (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(5-methoxy-1H-indol-6-yl)oxy]oxane-2-carboxylic acid |
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| Traditional Name | (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(5-methoxy-1H-indol-6-yl)oxy]oxane-2-carboxylic acid |
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| CAS Registry Number | 77463-72-0 |
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| SMILES | COC1=C(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)C=C2NC=CC2=C1 |
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| InChI Identifier | InChI=1S/C15H17NO8/c1-22-8-4-6-2-3-16-7(6)5-9(8)23-15-12(19)10(17)11(18)13(24-15)14(20)21/h2-5,10-13,15-19H,1H3,(H,20,21)/t10-,11-,12+,13-,15+/m0/s1 |
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| InChI Key | NECCHCPFFUXUOB-DKBOKBLXSA-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
- Indole
- Indole or derivatives
- Anisole
- Alkyl aryl ether
- Beta-hydroxy acid
- Hydroxy acid
- Monosaccharide
- Benzenoid
- Oxane
- Pyran
- Pyrrole
- Heteroaromatic compound
- Secondary alcohol
- Organoheterocyclic compound
- Azacycle
- Polyol
- Monocarboxylic acid or derivatives
- Oxacycle
- Acetal
- Carboxylic acid derivative
- Ether
- Carboxylic acid
- Organonitrogen compound
- Hydrocarbon derivative
- Carbonyl group
- Organic oxide
- Organopnictogen compound
- Alcohol
- 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 | 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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