| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:30:57 UTC |
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| Update Date | 2025-03-21 18:41:48 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00136252 |
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| Frequency | 18.4 |
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| Structure | |
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| Chemical Formula | C8H10N2O4 |
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| Molecular Mass | 198.0641 |
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| SMILES | CC(C(=O)O)n1ccc(=O)n(C)c1=O |
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| InChI Key | ZCNLPWPCVAUHQU-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 | alpha amino acids and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeslactamsmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrimidonesureasvinylogous amides |
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| Substituents | vinylogous amidecarbonyl groupcarbonic acid derivativelactamcarboxylic acidaromatic heteromonocyclic compoundazacycleheteroaromatic compoundpyrimidonealpha-amino acid or derivativespyrimidineureaorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compound |
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