| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:45:30 UTC |
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| Update Date | 2025-03-25 00:48:25 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02168156 |
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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 | CC(N)(C(=O)O)C(=O)C(F)(F)C(F)(F)F |
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| InChI Key | SIUAWLNHAJMZEY-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 | alkyl fluoridesalpha-haloketonesbeta-hydroxy ketonesbeta-keto acids and derivativescarboxylic acidsfatty acylshalogenated fatty acidshydrocarbon derivativesmethyl-branched fatty acidsmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganofluoridesorganonitrogen compoundsorganopnictogen compoundsshort-chain keto acids and derivatives |
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| Substituents | fatty acylbeta-hydroxy ketonealiphatic acyclic compoundcarbonyl groupcarboxylic acidshort-chain keto acidorganohalogen compoundbeta-keto acidketoneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundalpha-haloketonealkyl halidehalogenated fatty acidmethyl-branched fatty acidalkyl fluorideorganofluoridebranched fatty acidmonocarboxylic acid or derivativesorganic oxygen compoundketo acidhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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