| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:20:48 UTC |
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| Update Date | 2025-03-25 01:01:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02248935 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H24NO3+ |
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| Molecular Mass | 266.1751 |
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| SMILES | COc1ccc(C(C)C(=O)OCC[N+](C)(C)C)cc1 |
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| InChI Key | UXGGOUHECJRXHI-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 | alkyl aryl ethersaminesanisolescarbonyl compoundscarboxylic acid estershydrocarbon derivativesmethoxybenzenesmonocarboxylic acids and derivativesorganic cationsorganic oxidesorganic saltsorganopnictogen compoundsphenoxy compoundstetraalkylammonium salts |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupetheralkyl aryl ethercarboxylic acid derivativeorganic oxideorganopnictogen compoundorganic cationorganic salttetraalkylammonium saltmethoxybenzenearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundanisolecarboxylic acid esteracyl cholinehydrocarbon derivativebenzenoidphenoxy compoundamineorganooxygen compound |
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