| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:54:00 UTC |
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| Update Date | 2025-03-21 18:04:04 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00048145 |
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| Frequency | 68.9 |
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| Structure | |
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| Chemical Formula | C12H16N2O3 |
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| Molecular Mass | 236.1161 |
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| SMILES | Nc1ccccc1C(=O)CCCC(N)C(=O)O |
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| InChI Key | ONEJOVOQJYWDNG-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 acidsamino acidsamino fatty acidsaryl alkyl ketonesbenzoyl derivativesbutyrophenonescarbocyclic fatty acidscarboxylic acidshydrocarbon derivativesmedium-chain fatty acidsmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsvinylogous amides |
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| Substituents | fatty acylcarbocyclic fatty acidmonocyclic benzene moietycarboxylic acidaryl alkyl ketoneamino acid or derivativesamino acidbenzoylfatty acidalpha-amino acid or derivativescarboxylic acid derivativeorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidvinylogous amideamino fatty acidbutyrophenonearomatic homomonocyclic compoundmonocarboxylic acid or derivativeshydrocarbon derivativebenzenoidprimary aliphatic amineprimary amineorganic nitrogen compoundaminealkyl-phenylketone |
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