| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:22:26 UTC |
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| Update Date | 2025-03-21 18:37:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00116247 |
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| Frequency | 22.6 |
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| Structure | |
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| Chemical Formula | C17H12ClF3N2 |
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| Molecular Mass | 336.0641 |
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| SMILES | Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(Cl)cc2)cc1 |
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| InChI Key | YRLDIFBAVSVQSO-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 fluoridesaryl chloridesazacyclic compoundschlorobenzenesheteroaromatic compoundshydrocarbon derivativesorganochloridesorganofluoridesorganonitrogen compoundsorganopnictogen compoundstoluenes |
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| Substituents | aryl chloridechlorobenzenemonocyclic benzene moietyaromatic heteromonocyclic compoundazacyclealkyl fluorideorganofluorideorganochlorideheteroaromatic compoundorganohalogen compoundaryl halidephenylpyrazoleorganonitrogen compoundorganopnictogen compoundalkyl halidehydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzenetoluene |
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