| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:11:53 UTC |
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| Update Date | 2025-03-21 18:32:22 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00090498 |
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| Frequency | 31.1 |
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| Structure | |
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| Chemical Formula | C12H10N2O3 |
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| Molecular Mass | 230.0691 |
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| SMILES | O=C(O)CNC(=O)c1ccnc2ccccc12 |
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| InChI Key | LCRQPJJJOBOXSO-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | acyl glycines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 2-halopyridinesalpha amino acidsazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridinespyridinecarboxylic acids and derivativesquinoline carboxamidessecondary carboxylic acid amides |
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| Substituents | pyridine carboxylic acid or derivativescarbonyl groupcarboxylic acidpolyhalopyridineorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundquinolinealpha-amino acidorganopnictogen compound2-halopyridineorganoheterocyclic compoundazacycleheteroaromatic compoundhydroxypyridinecarboxamide groupn-acylglycinesecondary carboxylic acid amidemonocarboxylic acid or derivativesquinoline-4-carboxamidepyridineorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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