| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:54:11 UTC |
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| Update Date | 2025-03-25 00:51:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02188051 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H19N2O4+ |
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| Molecular Mass | 267.1339 |
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| SMILES | CC(=O)Nc1ccc(OC(C(=O)O)[N+](C)(C)C)cc1 |
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| InChI Key | IFLQMEHQYFYYMC-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 | phenoxyacetic acid derivatives |
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| Direct Parent | phenoxyacetic acid derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | acetamidesacetanilidesalpha amino acidscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesn-acetylarylaminesorganic cationsorganic oxidesorganic saltsorganopnictogen compoundsphenol ethersphenoxy compoundssecondary carboxylic acid amidestetraalkylammonium salts |
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| Substituents | phenol etherphenoxyacetatecarbonyl groupcarboxylic acidn-acetylarylaminen-arylamidealpha-amino acid or derivativescarboxylic acid derivativeorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganic cationorganic saltacetamidetetraalkylammonium saltacetanilidecarboxamide grouparomatic homomonocyclic compoundanilidesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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