| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:37:55 UTC |
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| Update Date | 2025-03-25 00:45:44 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02150932 |
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| Frequency | 0.5 |
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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 | CNCCC(=O)c1cc(O)ccc1NC(C)=O |
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| InChI Key | NFPIHMHTANYQKT-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 | 1-hydroxy-2-unsubstituted benzenoidsacetamidesacetanilidesamino acids and derivativesaryl alkyl ketonesbenzoyl derivativescarboxylic acids and derivativesdialkylamineshydrocarbon derivativesn-acetylarylaminesorganic oxidesorganopnictogen compoundssecondary carboxylic acid amidesvinylogous amides |
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| Substituents | monocyclic benzene moietyaryl alkyl ketonen-acetylarylamineamino acid or derivativesbenzoyl1-hydroxy-2-unsubstituted benzenoidn-arylamidecarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compoundacetamidevinylogous amidesecondary aliphatic amineacetanilidesecondary aminecarboxamide grouparomatic homomonocyclic compoundanilidesecondary carboxylic acid amidephenolhydrocarbon derivativebenzenoidorganic nitrogen compoundalkyl-phenylketoneamine |
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