| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:44:16 UTC |
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| Update Date | 2025-03-25 00:47:59 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02165360 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H6F13NO3S |
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| Molecular Mass | 454.9861 |
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| SMILES | CCC(=O)NS(=O)(=O)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 | DWLRIYKWFRQSMS-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 | organic sulfonic acids and derivatives |
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| Subclass | organosulfonic acids and derivatives |
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| Direct Parent | organosulfonic acids 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 compounds |
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| Substituents | aliphatic acyclic compoundorganosulfonic acid or derivativescarbonyl groupaminosulfonyl compoundalkyl fluorideorganofluorideorganosulfur compoundcarboxylic acid derivativeorganohalogen compoundorganic oxidesulfonylorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundalkyl halidehydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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