| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:55:46 UTC |
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| Update Date | 2025-03-21 18:53:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00194417 |
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| Frequency | 11.6 |
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| Structure | |
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| Chemical Formula | C4H5ClO2 |
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| Molecular Mass | 119.9978 |
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| SMILES | CC(=O)C(=O)CCl |
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| InChI Key | AHPSZWVDPABXPI-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-diketones |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alkyl chloridesalpha-chloroketoneshydrocarbon derivativesorganic oxidesorganochlorides |
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| Substituents | aliphatic acyclic compoundalkyl chlorideorganochlorideorganohalogen compoundalpha-diketonealpha-chloroketoneorganic oxidealpha-haloketonealkyl halidehydrocarbon derivative |
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