| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:59:19 UTC |
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| Update Date | 2025-03-25 00:53:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02199681 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H13N3O3 |
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| Molecular Mass | 235.0957 |
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| SMILES | N=C(N)NC(CC(=O)O)C(=O)c1ccccc1 |
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| InChI Key | LTQNDTXAZKWMFN-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 | aryl alkyl ketonesbenzoyl derivativesbeta amino acids and derivativesbutyrophenonescarboximidamidescarboxylic acidsgamma-keto acids and derivativesguanidineshydrocarbon derivativesiminesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compounds |
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| Substituents | monocyclic benzene moietycarboxylic acidaryl alkyl ketoneguanidineiminebenzoylcarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compoundcarboximidamidebeta amino acid or derivativesgamma-keto acidbutyrophenonearomatic homomonocyclic compoundmonocarboxylic acid or derivativesketo acidhydrocarbon derivativebenzenoidorganic nitrogen compoundalkyl-phenylketone |
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