| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:41:08 UTC |
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| Update Date | 2025-03-25 00:46:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02158294 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H9N3O4 |
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| Molecular Mass | 247.0593 |
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| SMILES | O=C(O)CNC(=O)c1nc2ccccc2c(=O)[nH]1 |
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| InChI Key | PBWDPBIPHOYBER-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-heteroaryl carboxamidesalpha amino acidsazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsdiazanaphthalenesheteroaromatic compoundshydrocarbon derivativeslactamsmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrimidinecarboxylic acids and derivativespyrimidonesquinazolinessecondary carboxylic acid amides |
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| Substituents | carbonyl grouplactamcarboxylic acidpyrimidone2-heteroaryl carboxamidepyrimidineorganic oxidediazanaphthalenearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundazacycleheteroaromatic compoundcarboxamide groupn-acylglycinesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundquinazolinepyrimidine-2-carboxylic acid or derivativesorganooxygen compound |
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