| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:41:15 UTC |
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| Update Date | 2025-03-21 17:59:00 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00018107 |
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| Frequency | 229.9 |
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| Structure | |
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| Chemical Formula | C13H18NO4+ |
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| Molecular Mass | 252.123 |
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| SMILES | C[N+](C)(C)CCOC(=O)c1ccccc1C(=O)O |
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| InChI Key | RYDZGHGEAUJPNR-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 acid esters |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compoundsaminesbenzoic acidsbenzoyl derivativescarboxylic acid estersdicarboxylic acids and derivativeshydrocarbon derivativesorganic cationsorganic oxidesorganic saltsorganooxygen compoundsorganopnictogen compoundstetraalkylammonium salts |
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| Substituents | carboxylic acidbenzoylbenzoate estercarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compound1-carboxy-2-haloaromatic compoundorganic cationbenzoic acidorganic salttetraalkylammonium saltquaternary ammonium saltaromatic homomonocyclic compoundorganic oxygen compoundcarboxylic acid esterdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compound |
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