| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:54 UTC |
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| Update Date | 2025-03-25 00:50:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02180566 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H16NO3+ |
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| Molecular Mass | 210.1125 |
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| SMILES | C[N+](C)(C)CC(=O)c1cc(O)ccc1O |
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| InChI Key | HKULXRDKNXSQBT-UHFFFAOYSA-O |
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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 benzenoidsalpha-amino ketonesaminesaryl alkyl ketonesbenzoyl derivativeshydrocarbon derivativeshydroquinonesorganic cationsorganic oxidesorganic saltsorganooxygen compoundsorganopnictogen compoundstetraalkylammonium saltsvinylogous acids |
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| Substituents | monocyclic benzene moietyaryl alkyl ketonebenzoyl1-hydroxy-2-unsubstituted benzenoidorganic oxidealpha-aminoketoneorganonitrogen compoundorganopnictogen compoundorganic cationorganic salttetraalkylammonium saltquaternary ammonium salthydroquinonearomatic homomonocyclic compoundvinylogous acidphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundaminealkyl-phenylketone |
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