| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:03:39 UTC |
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| Update Date | 2025-03-25 00:54:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02209677 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C4H5ClF2O2 |
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| Molecular Mass | 157.9946 |
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| SMILES | CC(O)C(=O)C(F)(F)Cl |
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| InChI Key | NLZFGKMVHGEMHI-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 | acyloins |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alkyl chloridesalkyl fluoridesalpha-chloroketonesalpha-hydroxy ketoneshydrocarbon derivativesorganic oxidesorganochloridesorganofluoridessecondary alcohols |
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| Substituents | alcoholaliphatic acyclic compoundalkyl fluorideorganofluoridealkyl chlorideorganochloridealpha-hydroxy ketoneorganohalogen compoundalpha-chloroketoneketoneorganic oxideacyloinsecondary alcoholalpha-haloketonealkyl halidehydrocarbon derivative |
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