| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:09:49 UTC |
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| Update Date | 2025-03-25 00:57:19 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02224065 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C6H5F3N2O |
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| Molecular Mass | 178.0354 |
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| SMILES | O=C(Cc1c[nH]cn1)C(F)(F)F |
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| InChI Key | OXQYTDHOKCYVEF-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 | imidazoles |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alkyl fluoridesalpha-haloketonesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganofluoridesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | carbonyl grouparomatic heteromonocyclic compoundazacyclealkyl fluorideorganofluorideheteroaromatic compoundorganohalogen compoundketoneorganic oxideorganic oxygen compoundimidazoleorganonitrogen compoundorganopnictogen compoundalpha-haloketonealkyl halidehydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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