| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:59:38 UTC |
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| Update Date | 2025-03-21 18:06:08 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00061326 |
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| Frequency | 50.8 |
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| Structure | |
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| Chemical Formula | C13H20NO2+ |
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| Molecular Mass | 222.1489 |
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| SMILES | C[N+](C)(C)CCOC(=O)Cc1ccccc1 |
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| InChI Key | FNXMMFMOMLEUMJ-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic nitrogen compounds |
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| Class | organonitrogen compounds |
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| Subclass | quaternary ammonium salts |
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| Direct Parent | acyl cholines |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | aminesbenzene and substituted derivativescarbonyl compoundscarboxylic acid estershydrocarbon derivativesmonocarboxylic acids and derivativesorganic cationsorganic oxidesorganic saltsorganopnictogen compoundstetraalkylammonium salts |
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| Substituents | monocyclic benzene moietycarbonyl grouptetraalkylammonium saltcarboxylic acid derivativearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esteracyl cholineorganopnictogen compoundhydrocarbon derivativebenzenoidorganic cationorganic saltamineorganooxygen compound |
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