| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:35:19 UTC |
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| Update Date | 2025-03-21 17:56:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00004588 |
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| Frequency | 1219.2 |
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| Structure | |
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| Chemical Formula | C16H12F3N3O2S |
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| Molecular Mass | 367.0602 |
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| SMILES | NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccccc2)cc1 |
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| InChI Key | MQPLMBSDWYIIID-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 | alkyl fluoridesaminosulfonyl compoundsazacyclic compoundsbenzenesulfonamidesbenzenesulfonyl compoundsheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganofluoridesorganonitrogen compoundsorganopnictogen compoundsorganosulfonamides |
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| Substituents | organosulfonic acid or derivativesmonocyclic benzene moietyaromatic heteromonocyclic compoundorganosulfur compoundorganohalogen compoundorganosulfonic acid amidephenylpyrazoleorganic oxideorganonitrogen compoundorganopnictogen compoundalkyl halidebenzenesulfonyl groupbenzenesulfonamideazacycleaminosulfonyl compoundalkyl fluorideorganofluorideheteroaromatic compoundsulfonylorganic oxygen compoundorganic sulfonic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compound |
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