| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 16:14:00 UTC |
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| Update Date | 2025-03-25 01:21:26 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02371168 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C5H9ClO2 |
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| Molecular Mass | 136.0291 |
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| SMILES | CC(C)(O)C(=O)CCl |
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| InChI Key | IWHKSHHXSPSCSV-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 chloridesalpha-chloroketonesalpha-hydroxy ketoneshydrocarbon derivativesorganic oxidesorganochloridestertiary alcohols |
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| Substituents | alcoholaliphatic acyclic compoundalkyl chlorideorganochloridealpha-hydroxy ketoneorganohalogen compoundalpha-chloroketoneketonetertiary alcoholorganic oxideacyloinalpha-haloketonealkyl halidehydrocarbon derivative |
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