| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:46:00 UTC |
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| Update Date | 2025-03-21 18:00:43 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00029010 |
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| Frequency | 129.3 |
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| Structure | |
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| Chemical Formula | C16H12F3N3O3S |
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| Molecular Mass | 383.0551 |
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| SMILES | NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccccc2O)cc1 |
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| InChI Key | RMTKOQKEDHWBIN-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | azoles |
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| Subclass | pyrazoles |
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| Direct Parent | phenylpyrazoles |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalkyl fluoridesaminosulfonyl compoundsazacyclic compoundsbenzenesulfonamidesbenzenesulfonyl compoundsheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganofluoridesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsorganosulfonamides |
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| Substituents | organosulfonic acid or derivativesmonocyclic benzene moietyaromatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoidorganosulfur compoundorganohalogen compoundorganosulfonic acid amidephenylpyrazoleorganic oxideorganonitrogen compoundorganopnictogen compoundalkyl halidebenzenesulfonyl groupbenzenesulfonamideazacycleaminosulfonyl compoundalkyl fluorideorganofluorideheteroaromatic compound1-hydroxy-4-unsubstituted benzenoidsulfonylorganic oxygen compoundorganic sulfonic acid or derivativesphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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