| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:24:46 UTC |
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| Update Date | 2025-03-21 18:38:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00121799 |
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| Frequency | 30.7 |
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| Structure | |
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| Chemical Formula | C13H14N4O8 |
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| Molecular Mass | 354.0812 |
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| SMILES | Nc1nc2nc(OC3OC(C(=O)O)C(O)C(O)C3O)ccc2c(=O)[nH]1 |
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| InChI Key | ZXUGVMDLSMLOMY-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-halopyridinesacetalsamino acidsazacyclic compoundsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsglucuronic acid derivativesheteroaromatic compoundshydrocarbon derivativeshydroxypyridineslactamsmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganopnictogen compoundsoxacyclic compoundsoxanespolyhalopyridinesprimary aminespyran carboxylic acidspyrido[2,3-d]pyrimidinespyrimidonessecondary alcohols |
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| Substituents | carbonyl grouplactamcarboxylic acidamino acid or derivativesamino acidpolyhalopyridineo-glucuronidemonosaccharidepyrimidonecarboxylic acid derivativepyran carboxylic acidpyrimidine1-o-glucuronidebeta-hydroxy acidorganic oxideacetalaromatic heteropolycyclic compoundorganonitrogen compoundpyridopyrimidineorganopnictogen compound2-halopyridineoxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativesazacycleheteroaromatic compoundhydroxypyridinehydroxy acidoxacyclemonocarboxylic acid or derivativespyridinepyrido[2,3-d]pyrimidinepyransecondary alcoholhydrocarbon derivativeprimary amineorganic nitrogen compoundamine |
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