| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:04:34 UTC |
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| Update Date | 2025-03-21 18:28:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00073105 |
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| Frequency | 40.8 |
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| Structure | |
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| Chemical Formula | C17H13ClF3N3O2S |
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| Molecular Mass | 415.0369 |
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| SMILES | Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)c(Cl)c2)cc1 |
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| InChI Key | QHFNSIUAIDRCMF-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 compoundsaryl chloridesazacyclic compoundsbenzenesulfonamidesbenzenesulfonyl compoundschlorobenzenesheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganochloridesorganofluoridesorganonitrogen compoundsorganopnictogen compoundsorganosulfonamidestoluenes |
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| Substituents | organosulfonic acid or derivativesmonocyclic benzene moietyaromatic heteromonocyclic compoundorganochlorideorganosulfur compoundorganohalogen compoundorganosulfonic acid amidephenylpyrazoleorganic oxideorganonitrogen compoundorganopnictogen compoundalkyl halidebenzenesulfonyl grouparyl chloridechlorobenzenebenzenesulfonamideazacycleaminosulfonyl compoundalkyl fluorideorganofluorideheteroaromatic compoundaryl halidesulfonylorganic oxygen compoundorganic sulfonic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzenetoluene |
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