| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:11:20 UTC |
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| Update Date | 2025-03-21 18:32:06 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00089159 |
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| Frequency | 31.7 |
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| Structure | |
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| Chemical Formula | C12H11N3O4 |
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| Molecular Mass | 261.075 |
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| SMILES | O=C(O)CC(Nc1ncnc2ccccc12)C(=O)O |
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| InChI Key | YZZVXFISNQRUSO-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 | alpha amino acidsamino acidsazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsdiazanaphthalenesdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesimidolactamsorganic oxidesorganopnictogen compoundspyrimidines and pyrimidine derivativesquinazolinaminessecondary alkylarylamines |
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| Substituents | carbonyl groupcarboxylic acidamino acidpyrimidineorganic oxidediazanaphthalenearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundimidolactamorganoheterocyclic compoundazacycleheteroaromatic compoundsecondary aminesecondary aliphatic/aromatic amineorganic oxygen compoundaspartic acid or derivativesdicarboxylic acid or derivativesquinazolinaminehydrocarbon derivativebenzenoidorganic nitrogen compoundquinazolineorganooxygen compoundamine |
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