| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:02:51 UTC |
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| Update Date | 2025-03-25 00:54:39 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02207766 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H21N3O9 |
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| Molecular Mass | 387.1278 |
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| SMILES | Nc1ncc(OC2OC(C(=O)O)C(O)C(O)C2O)cc1CCC(N)C(=O)O |
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| InChI Key | YCBRMZDXRKKENO-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-halopyridinesacetalsalpha amino acidsamino acidsazacyclic compoundsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesglucuronic acid derivativesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesimidolactamsmonoalkylaminesmonosaccharidesorganic oxidesorganopnictogen compoundsoxacyclic compoundsoxanespolyhalopyridinespyran carboxylic acidssecondary alcohols |
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| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundamino acid or derivativesamino acidpolyhalopyridineo-glucuronidemonosaccharidealpha-amino acid or derivativescarboxylic acid derivativepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidorganic oxideacetalorganonitrogen compoundalpha-amino acidorganopnictogen compound2-halopyridineoxaneimidolactamorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativesazacycleheteroaromatic compoundhydroxypyridinehydroxy acidoxacyclepyridinepyransecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineprimary amineorganic nitrogen compoundamine |
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