| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:20:16 UTC |
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| Update Date | 2025-03-21 18:36:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00111003 |
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| Frequency | 24.0 |
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| Structure | |
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| Chemical Formula | C14H22NO4+ |
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| Molecular Mass | 268.1543 |
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| SMILES | COC(=O)C(Cc1ccc(O)c(OC)c1)[N+](C)(C)C |
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| InChI Key | KRALCJNQSIPVRT-UHFFFAOYSA-O |
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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 | tyrosine and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalkyl aryl ethersalpha amino acid estersalpha amino acidsaminesanisolescarbonyl compoundsfatty acid estershydrocarbon derivativesmethoxybenzenesmethoxylated amphetaminesmethoxyphenolsmethyl estersmonocarboxylic acids and derivativesorganic cationsorganic oxidesorganic saltsorganopnictogen compoundsphenoxy compoundsphenylalanine and derivativestetraalkylammonium salts |
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| Substituents | fatty acylphenol ethermonocyclic benzene moietycarbonyl groupether1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl etherorganic oxidemethyl esterorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganic cationorganic saltamphetamine or derivativestyrosine or derivativestetraalkylammonium saltalpha-amino acid estermethoxylated amphetaminequaternary ammonium saltmethoxybenzenearomatic homomonocyclic compoundfatty acid estermonocarboxylic acid or derivativesphenylalanine or derivativesorganic oxygen compoundanisolecarboxylic acid esterphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundamineorganooxygen compound |
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