| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:47:12 UTC |
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| Update Date | 2025-03-25 00:49:07 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02172026 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H15F3N4O3S |
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| Molecular Mass | 424.0817 |
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| SMILES | CNC(=O)c1cccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)c1 |
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| InChI Key | WZQOMXSPCWNVKB-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 compoundsbenzamidesbenzenesulfonamidesbenzenesulfonyl compoundsbenzoyl derivativescarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganofluoridesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsorganosulfonamidessecondary carboxylic acid amides |
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| Substituents | organosulfonic acid or derivativesmonocyclic benzene moietyaromatic heteromonocyclic compoundbenzoylorganosulfur compoundcarboxylic acid derivativeorganohalogen compoundbenzamideorganosulfonic acid amidephenylpyrazoleorganic oxideorganonitrogen compoundorganopnictogen compoundalkyl halidebenzenesulfonyl groupbenzenesulfonamideazacycleaminosulfonyl compoundalkyl fluorideorganofluorideheteroaromatic compoundbenzoic acid or derivativescarboxamide groupsecondary carboxylic acid amidesulfonylorganic oxygen compoundorganic sulfonic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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