| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:23 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 | DMID02152029 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C4H6ClF2NO2 |
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| Molecular Mass | 173.0055 |
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| SMILES | NC(CC(F)(F)Cl)C(=O)O |
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| InChI Key | DCFYGNMNAGBLGZ-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 chloridesalkyl fluoridescarbonyl compoundscarboxylic acidshalogenated fatty acidshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganochloridesorganofluoridesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidalkyl chlorideorganochloridefatty acidorganohalogen compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundalkyl halidehalogenated fatty acidalkyl fluorideorganofluoridemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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