| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:08:13 UTC |
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| Update Date | 2025-03-25 00:56:44 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02220389 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H18NO3+ |
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| Molecular Mass | 236.1281 |
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| SMILES | C[N+](C)(C)CC(=O)COC(=O)c1ccccc1 |
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| InChI Key | AINWCNOSCIVUTQ-UHFFFAOYSA-N |
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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 | alpha-amino ketonesaminesbenzoyl derivativescarboxylic acid estershydrocarbon derivativesmonocarboxylic acids and derivativesorganic cationsorganic oxidesorganic saltsorganopnictogen compoundstetraalkylammonium salts |
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| Substituents | carbonyl groupbenzoylbenzoate estercarboxylic acid derivativeketoneorganic oxidealpha-aminoketoneorganonitrogen compoundorganopnictogen compoundorganic cationorganic salttetraalkylammonium saltquaternary ammonium saltaromatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compound |
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