| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:37:17 UTC |
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| Update Date | 2025-03-25 00:45:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02149449 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H20NO2+ |
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| Molecular Mass | 210.1489 |
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| SMILES | CC=CC=CC(=O)CC(=O)C[N+](C)(C)C |
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| InChI Key | JLLUAYXAAONTHL-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 | gamma-amino ketones |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | acryloyl compoundsalpha-amino ketonesaminesenoneshydrocarbon derivativesorganic cationsorganic oxidesorganic saltsorganopnictogen compoundstetraalkylammonium salts |
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| Substituents | aliphatic acyclic compoundgamma-aminoketonetetraalkylammonium saltquaternary ammonium saltalpha,beta-unsaturated ketoneorganic oxidealpha-aminoketoneorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeacryloyl-grouporganic nitrogen compoundorganic cationorganic saltamineenone |
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