| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:08 UTC |
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| Update Date | 2025-03-25 00:50:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02181103 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H7F8NO7 |
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| Molecular Mass | 405.0095 |
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| SMILES | O=C(O)CC(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)O)C(=O)O |
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| InChI Key | QMKCSBREECPXNI-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 | aspartic acid and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alkyl fluoridesalpha amino acidsalpha-halocarboxylic acidscarbonyl compoundscarboxylic acidshalogenated fatty acidshydrocarbon derivativesn-acyl aminesn-acyl-alpha amino acidsorganic oxidesorganofluoridesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidestricarboxylic acids and derivatives |
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| Substituents | alpha-halocarboxylic acid or derivativesfatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidfatty amidetricarboxylic acid or derivativesalpha-halocarboxylic acidorganohalogen compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundalkyl haliden-acyl-alpha amino acid or derivativeshalogenated fatty acidn-acyl-alpha-amino acidalkyl fluorideorganofluoridecarboxamide groupn-acyl-aminesecondary carboxylic acid amideorganic oxygen compoundaspartic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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