| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:08:05 UTC |
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| Update Date | 2025-03-21 18:30:14 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00081587 |
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| Frequency | 35.5 |
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| Structure | |
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| Chemical Formula | C10H13NO3 |
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| Molecular Mass | 195.0895 |
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| SMILES | CC(O)CC(=O)c1cccc(O)c1N |
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| InChI Key | OQEOOWARYIMSQB-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 benzenoids1-hydroxy-4-unsubstituted benzenoidsaryl alkyl ketonesbenzoyl derivativesbeta-hydroxy ketonesbutyrophenoneshydrocarbon derivativesorganic oxidesorganopnictogen compoundsprimary aminessecondary alcoholsvinylogous amides |
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| Substituents | beta-hydroxy ketonemonocyclic benzene moietyaryl alkyl ketonebenzoyl1-hydroxy-2-unsubstituted benzenoidorganic oxideorganonitrogen compoundorganopnictogen compoundalcoholvinylogous amide1-hydroxy-4-unsubstituted benzenoidbutyrophenonearomatic homomonocyclic compoundsecondary alcoholphenolhydrocarbon derivativebenzenoidprimary amineorganic nitrogen compoundaminealkyl-phenylketone |
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