| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:45:38 UTC |
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| Update Date | 2025-03-25 00:48:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02168480 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H11F6NO2 |
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| Molecular Mass | 267.0694 |
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| SMILES | CC(C)C(NC(F)C(F)(F)C(F)(F)F)C(=O)O |
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| InChI Key | QAYHFDQAPPACEK-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 | valine and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alkyl fluoridesalpha amino acidsamino acidscarbonyl compoundscarboxylic acidsdialkylamineshalogenated fatty acidshydrocarbon derivativesmethyl-branched fatty acidsmonocarboxylic acids and derivativesorganic oxidesorganofluoridesorganopnictogen compounds |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidamino acidfatty acidorganohalogen compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundalkyl halidehalogenated fatty acidsecondary aliphatic aminemethyl-branched fatty acidalkyl fluorideorganofluoridevaline or derivativessecondary aminebranched fatty acidmonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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