| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:59:13 UTC |
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| Update Date | 2025-03-25 00:53:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02199477 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H12N4O4 |
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| Molecular Mass | 276.0859 |
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| SMILES | NC(=O)CC(NC(=O)c1nc2ccccc2[nH]1)C(=O)O |
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| InChI Key | KMEAQXWWUVDOPN-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 | asparagine and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 2-heteroaryl carboxamidesalpha amino acidsazacyclic compoundsbenzenoidsbenzimidazolescarbonyl compoundscarboxylic acidsfatty amidesheteroaromatic compoundshydrocarbon derivativesimidazolesmonocarboxylic acids and derivativesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsprimary carboxylic acid amidessecondary carboxylic acid amides |
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| Substituents | primary carboxylic acid amidefatty acylcarbonyl groupcarboxylic acidfatty amide2-heteroaryl carboxamideorganic oxidearomatic heteropolycyclic compoundbenzimidazoleimidazoleorganonitrogen compoundalpha-amino acidorganopnictogen compoundasparagine or derivativesorganoheterocyclic compoundazolen-acyl-alpha amino acid or derivativesazacyclen-acyl-alpha-amino acidheteroaromatic compoundcarboxamide groupsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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