| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:02:24 UTC |
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| Update Date | 2025-03-25 00:54:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02206731 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H7F3N2O |
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| Molecular Mass | 192.051 |
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| SMILES | O=C(CCn1ccnc1)C(F)(F)F |
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| InChI Key | QSTIDLBUTWWVHJ-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 | imidazoles |
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| Direct Parent | n-substituted imidazoles |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alkyl fluoridesalpha-haloketonesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesimidazolesorganic oxidesorganofluoridesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | carbonyl grouparomatic heteromonocyclic compoundazacyclealkyl fluorideorganofluorideheteroaromatic compoundorganohalogen compoundketoneorganic oxideorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundalpha-haloketonealkyl halidehydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundn-substituted imidazole |
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