| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:02:25 UTC |
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| Update Date | 2025-03-25 00:54:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02206765 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H6F3NO3S |
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| Molecular Mass | 253.002 |
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| SMILES | O=C(NS(=O)(=O)C(F)(F)F)c1ccccc1 |
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| InChI Key | DUENTUDGKBXYRX-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 | benzoic acids and derivatives |
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| Direct Parent | benzoic acids and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkyl fluoridesaminosulfonyl compoundsbenzoyl derivativescarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganofluoridesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsorganosulfonic acids and derivativestrihalomethanes |
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| Substituents | organosulfonic acid or derivativesbenzoylorganosulfur compoundcarboxylic acid derivativeorganohalogen compoundorganic oxideorganonitrogen compoundorganopnictogen compoundalkyl halidehalomethanetrihalomethaneaminosulfonyl compoundalkyl fluorideorganofluoridebenzoic acid or derivativesaromatic homomonocyclic compoundsulfonylorganic oxygen compoundorganic sulfonic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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