| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:06:53 UTC |
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| Update Date | 2025-03-25 00:56:15 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02217243 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C5H7F4NO2 |
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| Molecular Mass | 189.0413 |
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| SMILES | CC(NC(F)C(F)(F)F)C(=O)O |
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| InChI Key | IRCLKELUGAJZJB-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 | alanine and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alkyl fluoridesalpha amino acidsamino acidscarbonyl compoundscarboxylic acidsdialkylamineshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganofluoridesorganopnictogen compounds |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidamino acidorganohalogen compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundalkyl halidesecondary aliphatic aminealkyl fluorideorganofluoridesecondary aminemonocarboxylic acid or derivativesorganic oxygen compoundalanine or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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