| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:22:12 UTC |
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| Update Date | 2025-03-21 18:37:26 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00115700 |
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| Frequency | 22.7 |
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| Structure | |
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| Chemical Formula | C6H6N2O4 |
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| Molecular Mass | 170.0328 |
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| SMILES | O=C(O)C(C(=O)O)n1ccnc1 |
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| InChI Key | PDAZBWABVDZFES-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 | alpha amino acids and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1,3-dicarbonyl compoundsazacyclic compoundscarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesimidazolesn-substituted imidazolesorganic oxidesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundazacycleheteroaromatic compoundalpha-amino acid or derivativesorganic oxideorganic oxygen compoundimidazoleorganonitrogen compounddicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compound1,3-dicarbonyl compoundorganoheterocyclic compoundorganooxygen compoundazolen-substituted imidazole |
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