| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:42:27 UTC |
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| Update Date | 2025-03-25 00:47:21 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02161184 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H15F2NO4 |
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| Molecular Mass | 323.0969 |
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| SMILES | NC(Cc1ccc(Oc2ccc(C(O)(F)F)cc2)cc1)C(=O)O |
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| InChI Key | OPVRXDOLQIPCRU-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 | phenylalanine and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkyl fluoridesalpha amino acidsamphetamines and derivativesaromatic alcoholscarbonyl compoundscarboxylic acidsdiarylethersdiphenylethershydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganofluoridesorganonitrogen compoundsorganopnictogen compoundsphenol ethersphenoxy compoundsphenylpropanoic acids |
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| Substituents | aromatic alcoholdiaryl etherphenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acid3-phenylpropanoic-acidorganohalogen compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundalkyl halideamphetamine or derivativesalcoholalkyl fluorideorganofluoridearomatic homomonocyclic compoundmonocarboxylic acid or derivativesphenylalanine or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundphenoxy compounddiphenyletherorganooxygen compound |
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