| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:30 UTC |
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| Update Date | 2025-03-25 00:53:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02202400 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H20NO4+ |
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| Molecular Mass | 254.1387 |
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| SMILES | C[N+](C)(C)C(CC(=O)O)C(O)c1ccc(O)cc1 |
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| InChI Key | JBOGDPQPWHCKLZ-UHFFFAOYSA-O |
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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 | cholines |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1,2-aminoalcohols1-hydroxy-2-unsubstituted benzenoidsaminesaromatic alcoholsbenzene and substituted derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic cationsorganic oxidesorganic saltsorganopnictogen compoundssecondary alcoholstetraalkylammonium salts |
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| Substituents | aromatic alcoholmonocyclic benzene moietycarbonyl groupcarboxylic acid1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativeorganic oxideorganopnictogen compoundorganic cationorganic saltalcoholtetraalkylammonium salt1,2-aminoalcoholaromatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundcholinesecondary alcoholphenolhydrocarbon derivativebenzenoidamineorganooxygen compound |
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