| Record Information |
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| HMDB Status | detected |
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| Creation Date | 2024-02-21 00:02:02 UTC |
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| Update Date | 2025-03-21 18:07:05 UTC |
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| HMDB ID | HMDB0246204 |
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| Metabolite Identification |
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| DeepMet ID | DMID00067020 |
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| Name | 1,1,1-Trifluoro-2,4-pentanedione |
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| Frequency | 45.4 |
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| Structure | |
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| Chemical Formula | C5H5F3O2 |
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| Molecular Mass | 154.0242 |
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| SMILES | CC(=O)CC(=O)C(F)(F)F |
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| InChI Key | SHXHPUAKLCCLDV-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbonyl compounds |
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| Direct Parent | alpha-haloketones |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alkyl fluorideshydrocarbon derivativesorganic oxidesorganofluorides |
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| Substituents | aliphatic acyclic compoundalkyl fluorideorganofluorideorganohalogen compoundorganic oxidealpha-haloketonealkyl halidehydrocarbon derivative |
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