| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:39:48 UTC |
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| Update Date | 2025-03-21 17:58:32 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00015000 |
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| Frequency | 291.7 |
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| Structure | |
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| Chemical Formula | C17H13F3N2O3S |
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| Molecular Mass | 382.0599 |
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| SMILES | Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(=O)(=O)O)cc2)cc1 |
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| InChI Key | QGIWLVKNOVQTKV-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 | 1-sulfo,2-unsubstituted aromatic compoundsalkyl fluoridesarylsulfonic acids and derivativesazacyclic compoundsbenzenesulfonic acids and derivativesbenzenesulfonyl compoundsheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganofluoridesorganonitrogen compoundsorganopnictogen compoundsorganosulfonic acidssulfonylstoluenes |
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| Substituents | organosulfonic acid or derivativesmonocyclic benzene moietyaromatic heteromonocyclic compoundorganosulfonic acidbenzenesulfonateorganosulfur compoundorganohalogen compoundphenylpyrazoleorganic oxideorganonitrogen compoundorganopnictogen compoundalkyl halidebenzenesulfonyl group1-sulfo,2-unsubstituted aromatic compoundazacyclealkyl fluorideorganofluorideheteroaromatic compoundsulfonylorganic oxygen compoundarylsulfonic acid or derivativesorganic sulfonic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundtoluene |
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