| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:15:50 UTC |
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| Update Date | 2025-03-21 18:34:17 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00100107 |
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| Frequency | 48.4 |
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| Structure | |
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| Chemical Formula | C7H6N2O4 |
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| Molecular Mass | 182.0328 |
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| SMILES | O=C(O)C=Cc1[nH]cnc1C(=O)O |
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| InChI Key | OPNNEPOAJYROJM-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 | azoles |
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| Subclass | imidazoles |
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| Direct Parent | carbonylimidazoles |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesimidazolesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsvinylogous amides |
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| Substituents | vinylogous amidecarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundazacycleheteroaromatic compoundcarboxylic acid derivativeorganic oxideorganic oxygen compoundorganonitrogen compounddicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivativeimidazole-4-carbonyl grouporganic nitrogen compoundorganooxygen compound |
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