| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:54:00 UTC |
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| Update Date | 2025-03-21 18:04:03 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00048165 |
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| Frequency | 68.9 |
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| Structure | |
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| Chemical Formula | C18H15F3N2O |
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| Molecular Mass | 332.1136 |
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| SMILES | COc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(C)cc2)cc1 |
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| InChI Key | NJVXGGZJUPDPFX-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 aryl ethersalkyl fluoridesanisolesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesmethoxybenzenesorganofluoridesorganonitrogen compoundsorganopnictogen compoundsphenoxy compoundstoluenes |
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| Substituents | phenol ethermonocyclic benzene moietyetheraromatic heteromonocyclic compoundalkyl aryl etherorganohalogen compoundphenylpyrazoleorganonitrogen compoundorganopnictogen compoundalkyl halideazacyclealkyl fluorideorganofluorideheteroaromatic compoundmethoxybenzeneorganic oxygen compoundanisolehydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundtolueneorganooxygen compound |
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