| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:22:15 UTC |
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| Update Date | 2025-03-25 01:01:53 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02252266 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H12F3N3O6S2 |
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| Molecular Mass | 463.012 |
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| SMILES | NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(OS(=O)(=O)O)cc2)cc1 |
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| InChI Key | NXHMFMBJYOJFGO-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 compoundsorganooxygen compoundsorganopnictogen compoundsorganosulfonamidesphenoxy compoundsphenylsulfatessulfuric acid monoesters |
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| Substituents | organosulfonic acid or derivativesmonocyclic benzene moietysulfuric acid monoesteraromatic heteromonocyclic compoundorganosulfur compoundorganohalogen compoundorganosulfonic acid amidephenylsulfatephenylpyrazoleorganic oxideorganonitrogen compoundorganopnictogen compoundalkyl halidearylsulfatebenzenesulfonyl groupbenzenesulfonamideorganic sulfuric acid or derivativesazacycleaminosulfonyl compoundalkyl fluorideorganofluorideheteroaromatic compoundsulfonylorganic oxygen compoundorganic sulfonic acid or derivativessulfate-esterhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundsulfuric acid esterorganooxygen compound |
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