| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:02 UTC |
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| Update Date | 2025-03-25 00:46:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02155915 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H17FNO3+ |
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| Molecular Mass | 242.1187 |
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| SMILES | C[N+](C)(C)C(Cc1ccc(O)c(F)c1)C(=O)O |
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| InChI Key | DZASJXNUQZGXDR-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 benzenoidsalpha amino acidsaminesamphetamines and derivativesaryl fluoridescarbonyl compoundscarboxylic acidsfluorobenzeneshalophenolshydrocarbon derivativesmonocarboxylic acids and derivativeso-fluorophenolsorganic cationsorganic oxidesorganic saltsorganofluoridesorganopnictogen compoundsphenylalanine and derivativesphenylpropanoic acidstetraalkylammonium salts |
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| Substituents | aryl fluoridemonocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acid1-hydroxy-2-unsubstituted benzenoidorganohalogen compoundfluorobenzeneorganic oxidealpha-amino acidorganonitrogen compoundorganopnictogen compoundorganic cationorganic saltamphetamine or derivativestyrosine or derivativestetraalkylammonium saltorganofluoridequaternary ammonium salt2-fluorophenolaryl halidearomatic homomonocyclic compound2-halophenolmonocarboxylic acid or derivativesphenylalanine or derivativesorganic oxygen compoundphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzeneamineorganooxygen compound |
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