| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:14:29 UTC |
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| Update Date | 2025-03-25 00:59:01 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02234407 |
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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)(CCC(=O)O)Cc1ccccc1 |
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| InChI Key | AOHODWUQTUDNQP-UHFFFAOYSA-O |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | phenylmethylamines |
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| Direct Parent | phenylmethylamines |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | aralkylaminesbenzylaminescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic cationsorganic oxidesorganic saltsorganopnictogen compoundstetraalkylammonium salts |
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| Substituents | carbonyl groupcarboxylic acidtetraalkylammonium saltquaternary ammonium saltcarboxylic acid derivativearalkylaminearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesphenylmethylamineorganic oxygen compoundbenzylamineorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganic cationorganic saltamineorganooxygen compound |
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