| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:19:09 UTC |
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| Update Date | 2025-03-25 01:00:50 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02245149 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H12F3NO4S |
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| Molecular Mass | 311.0439 |
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| SMILES | CN(CCC(F)(F)F)S(=O)(=O)c1ccc(C(=O)O)cc1 |
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| InChI Key | QFCMBFRKXCFBGE-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | benzenesulfonamides |
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| Direct Parent | benzenesulfonamides |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkyl fluoridesaminosulfonyl compoundsbenzenesulfonyl compoundsbenzoic acidsbenzoyl derivativescarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganofluoridesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsorganosulfonamides |
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| Substituents | organosulfonic acid or derivativescarboxylic acidbenzoylorganosulfur compoundcarboxylic acid derivativeorganohalogen compoundorganosulfonic acid amideorganic oxideorganonitrogen compoundorganopnictogen compoundalkyl halidebenzoic acidbenzenesulfonyl groupbenzenesulfonamideaminosulfonyl compoundalkyl fluorideorganofluoridebenzoic acid or derivativesaromatic homomonocyclic compoundmonocarboxylic acid or derivativessulfonylorganic oxygen compoundorganic sulfonic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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