| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:12:01 UTC |
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| Update Date | 2025-03-25 00:58:08 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02228809 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H16F3NO4 |
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| Molecular Mass | 367.1031 |
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| SMILES | CC(=O)NC(Cc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1)C(=O)O |
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| InChI Key | ZRNXVFMNGWDGOY-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 | acetamidesalkyl fluoridesalpha amino acidsamphetamines and derivativescarbonyl compoundscarboxylic acidsdiarylethersdiphenylethershydrocarbon derivativesmonocarboxylic acids and derivativesn-acyl-alpha amino acidsorganic oxidesorganofluoridesorganonitrogen compoundsorganopnictogen compoundsphenol ethersphenoxy compoundsphenylpropanoic acidssecondary carboxylic acid amidestrifluoromethylbenzenes |
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| Substituents | diaryl etherphenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acid3-phenylpropanoic-acidorganohalogen compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundalkyl halidetrifluoromethylbenzeneacetamideamphetamine or derivativesn-acyl-alpha amino acid or derivativesn-acyl-alpha-amino acidalkyl fluorideorganofluoridecarboxamide grouparomatic homomonocyclic compoundsecondary carboxylic acid amidemonocarboxylic acid or derivativesphenylalanine or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compounddiphenyletherorganooxygen compound |
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