| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:56:43 UTC |
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| Update Date | 2025-03-21 18:05:02 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00054377 |
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| Frequency | 59.2 |
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| Structure | |
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| Chemical Formula | C9H9N3O7 |
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| Molecular Mass | 271.0441 |
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| SMILES | O=C(O)CC(NC(=O)c1cc(=O)[nH]c(=O)[nH]1)C(=O)O |
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| InChI Key | GXIVVJYXVVNOAM-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 heteromonocyclic compounds |
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| Alternative Parents | 2-heteroaryl carboxamidesalpha amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativeslactamsn-acyl-alpha amino acidsorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrimidinecarboxylic acids and derivativespyrimidonessecondary carboxylic acid amidesvinylogous amides |
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| Substituents | carbonyl grouplactamcarboxylic acidaromatic heteromonocyclic compoundpyrimidone2-heteroaryl carboxamidepyrimidineorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundn-acyl-alpha amino acid or derivativesvinylogous amidecarbonic acid derivativeazacyclen-acyl-alpha-amino acidheteroaromatic compoundcarboxamide groupsecondary carboxylic acid amideorganic oxygen compoundaspartic acid or derivativesdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundpyrimidine-6-carboxylic acid or derivativesorganooxygen compound |
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