| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:15:43 UTC |
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| Update Date | 2025-03-25 00:59:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02237210 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H11F6NO5 |
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| Molecular Mass | 387.0541 |
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| SMILES | O=C(O)C(Cc1ccccc1)NC(=O)C(F)(F)C(F)(F)C(F)(F)C(=O)O |
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| InChI Key | YFIPZDWJOVFKBX-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 acidsalpha-halocarboxylic acidsamphetamines and derivativesbenzene and substituted derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshalogenated fatty acidshydrocarbon derivativesn-acyl aminesn-acyl-alpha amino acidsorganic oxidesorganofluoridesorganonitrogen compoundsorganopnictogen compoundsphenylpropanoic acidssecondary carboxylic acid amides |
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| Substituents | alpha-halocarboxylic acid or derivativesfatty acylmonocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acidfatty amidealpha-halocarboxylic acidorganohalogen compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundalkyl halideamphetamine or derivativesn-acyl-alpha amino acid or derivativeshalogenated fatty acidn-acyl-alpha-amino acidalkyl fluorideorganofluoridecarboxamide groupn-acyl-aminearomatic homomonocyclic compoundsecondary carboxylic acid amidephenylalanine or derivativesorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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