| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:25:26 UTC |
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| Update Date | 2025-03-21 18:38:58 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00123358 |
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| Frequency | 20.9 |
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| Structure | |
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| Chemical Formula | C12H18NO3+ |
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| Molecular Mass | 224.1281 |
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| SMILES | C[N+](C)(C)CCOC(=O)c1cccc(O)c1 |
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| InChI Key | LHGSAHZDYQAHIK-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 | m-hydroxybenzoic acid esters |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsaminesbenzoyl derivativescarboxylic acid estershydrocarbon derivativesmonocarboxylic acids and derivativesorganic cationsorganic oxidesorganic saltsorganooxygen compoundsorganopnictogen compoundstetraalkylammonium salts |
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| Substituents | benzoyl1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compoundorganic cationorganic saltm-hydroxybenzoic acid estertetraalkylammonium saltquaternary ammonium salt1-hydroxy-4-unsubstituted benzenoidaromatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterphenolhydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compound |
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