| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:04:03 UTC |
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| Update Date | 2025-03-21 18:28:26 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00071855 |
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| Frequency | 58.1 |
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| Structure | |
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| Chemical Formula | C14H14N2O8 |
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| Molecular Mass | 338.075 |
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| SMILES | O=C(O)C1OC(Oc2nc3ccccc3[nH]c2=O)C(O)C(O)C1O |
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| InChI Key | WJRUEKYOMSQQCP-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 | acetalsazacyclic compoundsbenzenoidsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdiazanaphthalenesglucuronic acid derivativesheteroaromatic compoundshydrocarbon derivativeslactamsmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanespyran carboxylic acidspyrazinesquinoxalinessecondary alcohols |
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| Substituents | carbonyl grouplactamcarboxylic acido-glucuronidemonosaccharidecarboxylic acid derivativepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidorganic oxideacetaldiazanaphthalenearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundoxaneorganoheterocyclic compoundalcoholquinoxalinepyran carboxylic acid or derivativesazacycleheteroaromatic compoundhydroxy acidoxacyclemonocarboxylic acid or derivativespyranpyrazinesecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compound |
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