| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:14:38 UTC |
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| Update Date | 2025-03-21 18:33:42 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00097161 |
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| Frequency | 28.4 |
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| Structure | |
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| Chemical Formula | C12H13NO9 |
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| Molecular Mass | 315.059 |
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| SMILES | O=C(O)c1ccc(OC2OC(C(=O)O)C(O)C(O)C2O)cn1 |
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| InChI Key | CEGDMRCXFFPDLP-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 heteromonocyclic compounds |
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| Alternative Parents | 2-halopyridines5-alkoxy-2-carboxypyrimidinesacetalsazacyclic compoundsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesglucuronic acid derivativesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanespolyhalopyridinespyran carboxylic acidssecondary alcohols |
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| Substituents | pyridine carboxylic acid or derivativescarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundpolyhalopyridineo-glucuronidemonosaccharidecarboxylic acid derivativepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidorganic oxidepyridine-2-carboxylic acidacetalorganonitrogen compoundorganopnictogen compound2-halopyridineoxane5-alkoxy-2-carboxypyrimidineorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativesazacycleheteroaromatic compoundhydroxypyridinehydroxy acidoxacyclepyridinepyranpyridine carboxylic acidsecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compound |
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