| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:26:01 UTC |
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| Update Date | 2025-03-21 18:39:13 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00124692 |
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| Frequency | 20.6 |
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| Structure | |
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| Chemical Formula | C8H5F3O4S |
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| Molecular Mass | 253.9861 |
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| SMILES | O=C(O)c1ccc(S(=O)(=O)C(F)(F)F)cc1 |
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| InChI Key | OQBZJBCMJFAWCV-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 |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkyl fluoridesbenzenesulfonyl compoundsbenzoyl derivativescarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganofluoridesorganooxygen compoundssulfonestrihalomethanes |
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| Substituents | halomethanetrihalomethanecarboxylic acidalkyl fluorideorganofluoridebenzoylorganosulfur compoundcarboxylic acid derivativeorganohalogen compoundaromatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativessulfonylorganic oxygen compoundalkyl halidehydrocarbon derivativebenzoic acidorganooxygen compoundsulfonebenzenesulfonyl group |
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