| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:25:33 UTC |
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| Update Date | 2025-03-21 18:39:00 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00123593 |
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| Frequency | 20.9 |
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| Structure | |
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| Chemical Formula | C18H18F3N3OS |
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| Molecular Mass | 381.1123 |
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| SMILES | Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc([SH](C)(N)=O)cc2)cc1 |
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| InChI Key | QBWYWPBPMKQYCI-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 fluoridesalkylthiolsazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganofluoridesorganonitrogen compoundsorganopnictogen compoundsorganosulfur compoundstoluenes |
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| Substituents | monocyclic benzene moietyaromatic heteromonocyclic compoundazacyclealkyl fluorideorganofluorideheteroaromatic compoundorganosulfur compoundorganohalogen compoundphenylpyrazoleorganic oxideorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundalkyl halidehydrocarbon derivativebenzenoidorganic nitrogen compoundtoluenealkylthiol |
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