| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:17:24 UTC |
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| Update Date | 2025-03-25 01:00:04 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02241007 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H10F17NO3S |
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| Molecular Mass | 583.011 |
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| SMILES | CC(C)C(=O)N(C)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F |
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| InChI Key | TYMGMSHNRUNGCY-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organohalogen compounds |
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| Class | alkyl halides |
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| Subclass | alkyl fluorides |
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| Direct Parent | perfluorooctane sulfonic acid and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alkyl fluoridesaminosulfonyl compoundscarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganofluoridesorganonitrogen compoundsorganopnictogen compoundsorganosulfonic acids and derivatives |
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| Substituents | aliphatic acyclic compoundperfluorooctane sulfonic acid or derivativesorganosulfonic acid or derivativescarbonyl groupaminosulfonyl compoundorganofluorideorganosulfur compoundcarboxylic acid derivativeorganic oxidesulfonylorganic oxygen compoundorganic sulfonic acid or derivativesorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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