| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:18:11 UTC |
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| Update Date | 2025-03-21 18:35:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00105883 |
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| Frequency | 25.5 |
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| Structure | |
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| Chemical Formula | C18H22NO4+ |
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| Molecular Mass | 316.1543 |
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| SMILES | C[N+](C)(C)C(Cc1ccc(Oc2ccc(O)cc2)cc1)C(=O)O |
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| InChI Key | JKOWVQAVEPMLMZ-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 | phenylalanine and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalpha amino acidsaminesamphetamines and derivativescarbonyl compoundscarboxylic acidsdiarylethersdiphenylethershydrocarbon derivativesmonocarboxylic acids and derivativesorganic cationsorganic oxidesorganic saltsorganopnictogen compoundsphenol ethersphenoxy compoundsphenylpropanoic acidstetraalkylammonium salts |
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| Substituents | diaryl etherphenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acid3-phenylpropanoic-acid1-hydroxy-2-unsubstituted benzenoidorganic oxidealpha-amino acidorganonitrogen compoundorganopnictogen compoundorganic cationorganic saltamphetamine or derivativestetraalkylammonium saltquaternary ammonium saltaromatic homomonocyclic compoundmonocarboxylic acid or derivativesphenylalanine or derivativesorganic oxygen compoundphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compounddiphenyletheramineorganooxygen compound |
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