| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:16:10 UTC |
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| Update Date | 2025-03-21 18:34:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00100887 |
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| Frequency | 27.1 |
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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(=O)[nH]c(=O)n1CC(O)C(=O)O |
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| InChI Key | SISBTOKYEYYRHB-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 | diazines |
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| Subclass | pyrimidines and pyrimidine derivatives |
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| Direct Parent | pyrimidinecarboxylic acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alpha hydroxy acids and derivativesazacyclic compoundscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativeslactamsorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrimidonessecondary alcoholsvinylogous amides |
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| Substituents | carbonyl grouplactamcarboxylic acidaromatic heteromonocyclic compoundalpha-hydroxy acidpyrimidonecarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compoundpyrimidine-6-carboxylic acidalcoholvinylogous amidecarbonic acid derivativeazacycleheteroaromatic compoundhydroxy acidorganic oxygen compoundsecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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