| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:13 UTC |
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| Update Date | 2025-03-25 00:50:52 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02183541 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H8N2O7 |
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| Molecular Mass | 244.0332 |
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| SMILES | O=C(O)c1cc(C(=O)O)n(CC(O)C(=O)O)n1 |
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| InChI Key | QJZKADLSWPYRDI-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 | tricarboxylic acids and derivatives |
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| Direct Parent | tricarboxylic acids and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alpha hydroxy acids and derivativesazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrazolessecondary alcohols |
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| Substituents | alcoholcarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundazacyclealpha-hydroxy acidheteroaromatic compoundtricarboxylic acid or derivativeshydroxy acidpyrazoleorganic oxideorganic oxygen compoundorganonitrogen compoundsecondary alcoholorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compoundazole |
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