| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:30 UTC |
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| Update Date | 2025-03-25 00:45:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02152287 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C6H8F3NO3S |
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| Molecular Mass | 231.0177 |
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| SMILES | NC(CSCC(=O)O)C(=O)C(F)(F)F |
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| InChI Key | SHQXMVVBFYKJJC-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbonyl compounds |
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| Direct Parent | alpha-haloketones |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alkyl fluoridescarboxylic acidsdialkylthioethershydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganofluoridesorganonitrogen compoundsorganopnictogen compoundssulfenyl compounds |
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| Substituents | aliphatic acyclic compoundcarboxylic acidsulfenyl compoundalkyl fluorideorganofluoridedialkylthioetherorganosulfur compoundcarboxylic acid derivativeorganohalogen compoundorganic oxidemonocarboxylic acid or derivativesthioetherorganonitrogen compoundorganopnictogen compoundalpha-haloketonealkyl halidehydrocarbon derivativeprimary aliphatic amineorganic nitrogen compound |
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