| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:08:20 UTC |
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| Update Date | 2025-03-25 00:56:46 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02220633 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H6N4O4 |
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| Molecular Mass | 210.0389 |
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| SMILES | O=C(O)Cc1cn2c(=O)[nH]c(=O)[nH]c2n1 |
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| InChI Key | CPSTYCPXFSTCMF-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | triazines |
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| Subclass | triazinones |
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| Direct Parent | triazinones |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acidshalo-s-triazinesheteroaromatic compoundshydrocarbon derivativesimidazolesmonocarboxylic acids and derivativesn-substituted imidazolesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | carbonyl groupcarboxylic acidcarbonic acid derivativeazacycleheteroaromatic compoundcarboxylic acid derivativeorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundaromatic heteropolycyclic compoundimidazolehalo-s-triazineorganonitrogen compoundorganopnictogen compoundhydrocarbon derivative1,3,5-triazineorganic nitrogen compoundtriazinoneorganooxygen compoundazolen-substituted imidazole |
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