| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:02:09 UTC |
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| Update Date | 2025-03-25 00:54:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02206142 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H9F3N4O3S |
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| Molecular Mass | 334.0347 |
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| SMILES | NC(=O)c1cc(C(F)(F)F)n(-c2ccc(S(N)(=O)=O)cc2)n1 |
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| InChI Key | JRCJPQCSBNHBNR-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 | 2-heteroaryl carboxamidesalkyl fluoridesaminosulfonyl compoundsazacyclic compoundsbenzenesulfonamidesbenzenesulfonyl compoundscarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganofluoridesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsorganosulfonamidesprimary carboxylic acid amides |
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| Substituents | primary carboxylic acid amideorganosulfonic acid or derivativesmonocyclic benzene moietyaromatic heteromonocyclic compoundorganosulfur compoundcarboxylic acid derivativeorganohalogen compound2-heteroaryl carboxamideorganosulfonic acid amidephenylpyrazoleorganic oxideorganonitrogen compoundorganopnictogen compoundalkyl halidebenzenesulfonyl groupbenzenesulfonamideazacycleaminosulfonyl compoundalkyl fluorideorganofluorideheteroaromatic compoundcarboxamide groupsulfonylorganic oxygen compoundorganic sulfonic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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