| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:55:48 UTC |
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| Update Date | 2025-03-25 00:52:08 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02191694 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H13N3O4 |
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| Molecular Mass | 275.0906 |
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| SMILES | CC(=O)NC(Cc1cnc2ccc(O)cc2n1)C(=O)O |
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| InChI Key | WXJSDXYIVCVUQS-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 | n-acyl-alpha amino acids |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsacetamidesalpha amino acidsazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsdiazanaphthalenesheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrazinesquinoxalinessecondary carboxylic acid amides |
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| Substituents | carbonyl groupcarboxylic acid1-hydroxy-2-unsubstituted benzenoidorganic oxidediazanaphthalenearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundacetamidequinoxalineazacyclen-acyl-alpha-amino acidheteroaromatic compoundcarboxamide groupsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundpyrazinehydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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