| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:29:37 UTC |
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| Update Date | 2025-03-21 18:41:14 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00133218 |
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| Frequency | 18.9 |
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| Structure | |
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| Chemical Formula | C11H14N4O3 |
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| Molecular Mass | 250.1066 |
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| SMILES | N=C(N)Nc1ccc(C(=O)CC(N)C(=O)O)cc1 |
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| InChI Key | XGBACZQSZRBFOT-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbonyl compounds |
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| Direct Parent | alkyl-phenylketones |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha amino acidsaryl alkyl ketonesbenzoyl derivativesbutyrophenonescarboximidamidescarboxylic acidsgamma-keto acids and derivativesguanidineshydrocarbon derivativesiminesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compounds |
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| Substituents | monocyclic benzene moietycarboxylic acidaryl alkyl ketoneguanidineiminebenzoylalpha-amino acid or derivativescarboxylic acid derivativeorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundcarboximidamidegamma-keto acidbutyrophenonearomatic homomonocyclic compoundmonocarboxylic acid or derivativesketo acidhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundalkyl-phenylketone |
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