| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:37:59 UTC |
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| Update Date | 2025-03-25 00:45:45 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02151105 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H15N3O7 |
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| Molecular Mass | 325.091 |
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| SMILES | Cn1cnc2ncc(OC3OC(C(=O)O)C(O)C(O)C3O)cc21 |
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| InChI Key | PPAYPAOQRJGGHC-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 | 2-halopyridinesacetalsazacyclic compoundsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsglucuronic acid derivativesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesimidazolesimidazopyridinesmethylpyridinesmonocarboxylic acids and derivativesmonosaccharidesn-substituted imidazolesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanespolyhalopyridinespyran carboxylic acidssecondary alcohols |
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| Substituents | carbonyl groupcarboxylic acidpolyhalopyridineo-glucuronidemonosaccharideimidazopyridinecarboxylic acid derivativepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidorganic oxideacetalaromatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compound2-halopyridineoxaneorganoheterocyclic compoundazolen-substituted imidazolealcoholpyran carboxylic acid or derivativesazacycleheteroaromatic compoundhydroxypyridinemethylpyridinehydroxy acidoxacyclemonocarboxylic acid or derivativespyridinepyransecondary alcoholhydrocarbon derivativeorganic nitrogen compound |
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