| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:47:20 UTC |
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| Update Date | 2025-03-21 18:01:18 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00032140 |
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| Frequency | 113.9 |
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| Structure | |
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| Chemical Formula | C11H16NO2+ |
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| Molecular Mass | 194.1176 |
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| SMILES | C[N+](C)(C)Cc1ccc(C(=O)O)cc1 |
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| InChI Key | YAWAFHRHMGYOTG-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 | benzoic acids and derivatives |
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| Direct Parent | benzoic acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | aralkylaminesbenzoyl derivativesbenzylaminescarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic cationsorganic oxidesorganic saltsorganooxygen compoundsorganopnictogen compoundsphenylmethylaminestetraalkylammonium salts |
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| Substituents | carboxylic acidbenzoylcarboxylic acid derivativearalkylamineorganic oxideorganonitrogen compoundorganopnictogen compoundorganic cationbenzoic acidorganic salttetraalkylammonium saltquaternary ammonium saltaromatic homomonocyclic compoundmonocarboxylic acid or derivativesphenylmethylamineorganic oxygen compoundbenzylaminehydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compound |
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