| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:21 UTC |
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| Update Date | 2025-03-25 00:45:54 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02151939 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C6H6F5NO3 |
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| Molecular Mass | 235.0268 |
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| SMILES | NC(C(=O)O)C(=O)CC(F)(F)C(F)(F)F |
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| InChI Key | LOAUGLBPYRGBQH-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 | alpha amino acids |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | 1,3-dicarbonyl compoundsalkyl fluoridesbeta-hydroxy ketonesbeta-keto acids and derivativescarboxylic acidsfatty acylshalogenated fatty acidshydrocarbon derivativesmedium-chain keto acids and derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganofluoridesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | fatty acylbeta-hydroxy ketonealiphatic acyclic compoundcarbonyl groupcarboxylic acidorganohalogen compoundbeta-keto acidketoneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundalkyl halidehalogenated fatty acidalkyl fluorideorganofluoridemonocarboxylic acid or derivativesorganic oxygen compoundketo acidhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compound1,3-dicarbonyl compoundorganooxygen compoundmedium-chain keto acid |
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