| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:50:25 UTC |
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| Update Date | 2025-03-21 18:02:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00039525 |
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| Frequency | 88.0 |
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| Structure | |
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| Chemical Formula | C12H6F17NO6S |
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| Molecular Mass | 614.9644 |
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| SMILES | O=C(O)CN(CC(=O)O)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 | VXWYAIUHSGJZGP-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 fluoridesalpha amino acidsaminosulfonyl compoundscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganic sulfonamidesorganofluoridesorganonitrogen compoundsorganopnictogen compoundsorganosulfonamides |
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| Substituents | aliphatic acyclic compoundorganosulfonic acid or derivativescarbonyl groupcarboxylic acidalpha-amino acid or derivativesorganosulfur compoundcarboxylic acid derivativeorganosulfonic acid amideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundperfluorooctane sulfonic acid or derivativesaminosulfonyl compoundorganofluoridesulfonylorganic oxygen compoundorganic sulfonic acid or derivativesdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganic sulfonic acid amideorganooxygen compound |
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