| Record Information |
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| HMDB Status | detected |
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| Creation Date | 2024-02-20 23:51:25 UTC |
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| Update Date | 2025-03-21 18:03:02 UTC |
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| HMDB ID | HMDB0244030 |
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| Metabolite Identification |
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| DeepMet ID | DMID00041892 |
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| Name | 1,1,1-Trichloroacetone |
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| Frequency | 81.8 |
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| Structure | |
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| Chemical Formula | C3H3Cl3O |
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| Molecular Mass | 159.9249 |
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| SMILES | CC(=O)C(Cl)(Cl)Cl |
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| InChI Key | SMZHKGXSEAGRTI-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-chloroketones |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alkyl chlorideshydrocarbon derivativesorganic oxidesorganochlorides |
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| Substituents | aliphatic acyclic compoundalkyl chlorideorganochlorideorganohalogen compoundalpha-chloroketoneorganic oxidealkyl halidehydrocarbon derivative |
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