| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:43:05 UTC |
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| Update Date | 2025-03-25 00:47:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02162619 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H11N3O6 |
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| Molecular Mass | 305.0648 |
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| SMILES | O=C(O)CC(NC(=O)c1ncnc2c(O)cccc12)C(=O)O |
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| InChI Key | FRXFCRLLHIBTKE-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 | aspartic acid and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoids2-heteroaryl carboxamidesalpha amino acidsazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsdiazanaphthalenesdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrimidinecarboxylic acids and derivativesquinazolinessecondary carboxylic acid amides |
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| Substituents | carbonyl groupcarboxylic acid1-hydroxy-2-unsubstituted benzenoid2-heteroaryl carboxamidepyrimidineorganic oxidediazanaphthalenearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundn-acyl-alpha amino acid or derivativesazacyclen-acyl-alpha-amino acidheteroaromatic compound1-hydroxy-4-unsubstituted benzenoidcarboxamide groupsecondary carboxylic acid amideorganic oxygen compoundaspartic acid or derivativesdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundpyrimidine-6-carboxylic acid or derivativesquinazolineorganooxygen compound |
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