| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:30 UTC |
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| Update Date | 2025-03-25 00:53:50 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02202397 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H18NO2+ |
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| Molecular Mass | 208.1332 |
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| SMILES | C[N+](C)(C)C(CO)C(=O)c1ccccc1 |
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| InChI Key | XWANZJPFPNQTDB-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 ketonesaminesaryl alkyl ketonesbenzoyl derivativesbeta-hydroxy ketonescholineshydrocarbon derivativesorganic cationsorganic oxidesorganic saltsorganopnictogen compoundsprimary alcoholstetraalkylammonium salts |
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| Substituents | beta-hydroxy ketonemonocyclic benzene moietyaryl alkyl ketonebenzoylorganic oxidealpha-aminoketoneorganonitrogen compoundorganopnictogen compoundorganic cationorganic saltprimary alcoholalcoholtetraalkylammonium saltquaternary ammonium saltaromatic homomonocyclic compoundcholinehydrocarbon derivativebenzenoidorganic nitrogen compoundaminealkyl-phenylketone |
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