| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:42:05 UTC |
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| Update Date | 2025-03-25 00:47:14 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02160362 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H9F3N2O3S |
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| Molecular Mass | 318.0286 |
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| SMILES | NS(=O)(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 |
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| InChI Key | UWMKWABVZPQPLO-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | ethers |
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| Direct Parent | diarylethers |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 2-halopyridinesalkyl fluoridesaminosulfonyl compoundsazacyclic compoundsbenzenesulfonamidesbenzenesulfonyl compoundsheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganofluoridesorganonitrogen compoundsorganopnictogen compoundsorganosulfonamidesphenol ethersphenoxy compoundspolyhalopyridinespyridines and derivatives |
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| Substituents | diaryl etherphenol etherorganosulfonic acid or derivativesmonocyclic benzene moietyaromatic heteromonocyclic compoundpolyhalopyridineorganosulfur compoundorganohalogen compoundorganosulfonic acid amideorganic oxideorganonitrogen compoundorganopnictogen compoundalkyl halide2-halopyridineorganoheterocyclic compoundbenzenesulfonyl groupbenzenesulfonamideazacycleaminosulfonyl compoundalkyl fluorideorganofluorideheteroaromatic compoundsulfonylpyridineorganic sulfonic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compound |
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