| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:57:19 UTC |
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| Update Date | 2025-03-25 00:52:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02195065 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H22NO2+ |
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| Molecular Mass | 236.1645 |
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| SMILES | CCCOC(=O)C(c1ccccc1)[N+](C)(C)C |
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| InChI Key | PHTMMHJJPMCHQG-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | alpha amino acid esters |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha amino acidsaralkylaminesbenzene and substituted derivativescarbonyl compoundscarboxylic acid estershydrocarbon derivativesmonocarboxylic acids and derivativesorganic cationsorganic oxidesorganic saltsorganopnictogen compoundstetraalkylammonium salts |
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| Substituents | monocyclic benzene moietycarbonyl grouptetraalkylammonium saltalpha-amino acid esterquaternary ammonium saltaralkylaminearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganic cationorganic saltamineorganooxygen compound |
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