| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:01:38 UTC |
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| Update Date | 2025-03-25 00:54:14 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02204996 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H7F3O4S |
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| Molecular Mass | 256.0017 |
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| SMILES | O=S(=O)(O)C(c1ccc(O)cc1)C(F)(F)F |
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| InChI Key | NGGARHSLLAZZBB-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 | phenols |
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| Subclass | 1-hydroxy-2-unsubstituted benzenoids |
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| Direct Parent | 1-hydroxy-2-unsubstituted benzenoids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkyl fluoridesbenzene and substituted derivativeshydrocarbon derivativesorganic oxidesorganofluoridesorganooxygen compoundsorganosulfonic acidssulfonyls |
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| Substituents | organosulfonic acid or derivativesmonocyclic benzene moietyalkyl fluorideorganofluorideorganosulfonic acid1-hydroxy-2-unsubstituted benzenoidorganosulfur compoundorganohalogen compoundaromatic homomonocyclic compoundorganic oxidesulfonylorganic oxygen compoundorganic sulfonic acid or derivativesalkyl halidehydrocarbon derivativeorganooxygen compound |
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