| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:57:25 UTC |
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| Update Date | 2025-03-21 18:05:17 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00056028 |
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| Frequency | 57.0 |
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| Structure | |
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| Chemical Formula | C16H17NO8 |
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| Molecular Mass | 351.0954 |
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| SMILES | COC(=O)C1OC(Oc2ccc3cccc(O)c3n2)C(O)C(O)C1O |
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| InChI Key | VYJIQVFKQKCUIG-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbohydrates and carbohydrate conjugates |
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| Direct Parent | o-glucuronides |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoids2-halopyridines8-hydroxyquinolinesacetalsazacyclic compoundsbenzenoidsbeta hydroxy acids and derivativescarbonyl compoundsglucuronic acid derivativesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmethyl estersmethylpyridinesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanespolyhalopyridinespyran carboxylic acidsquinolones and derivativessecondary alcohols |
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| Substituents | carbonyl grouppolyhalopyridineo-glucuronide1-hydroxy-2-unsubstituted benzenoidmonosaccharidecarboxylic acid derivativepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidorganic oxidemethyl esteracetalaromatic heteropolycyclic compoundorganonitrogen compoundquinolineorganopnictogen compound2-halopyridineoxaneorganoheterocyclic compoundalcoholquinolonepyran carboxylic acid or derivatives8-hydroxyquinolineazacycleheteroaromatic compoundhydroxypyridinemethylpyridinehydroxy acid1-hydroxy-4-unsubstituted benzenoidoxacyclemonocarboxylic acid or derivativespyridinepyrancarboxylic acid estersecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compound |
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