| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:50:52 UTC |
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| Update Date | 2025-03-21 18:02:50 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00040602 |
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| Frequency | 85.0 |
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| Structure | |
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| Chemical Formula | C10H13N3O2 |
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| Molecular Mass | 207.1008 |
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| SMILES | NC(=O)C(N)CC(=O)c1ccccc1N |
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| InChI Key | SJLGRELHZXRIKL-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 derivativesbutyrophenonescarboxylic acids and derivativesfatty amideshydrocarbon derivativesmonoalkylaminesorganic oxidesorganopnictogen compoundsprimary carboxylic acid amidesvinylogous amides |
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| Substituents | primary carboxylic acid amidefatty acylmonocyclic benzene moietyaryl alkyl ketoneamino acid or derivativesfatty amidebenzoylalpha-amino acid or derivativescarboxylic acid derivativeorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundvinylogous amidecarboxamide groupbutyrophenonearomatic homomonocyclic compoundhydrocarbon derivativebenzenoidprimary aliphatic amineprimary amineorganic nitrogen compoundaminealkyl-phenylketone |
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