| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:06 UTC |
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| Update Date | 2025-03-25 00:46:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02156033 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C5H7Cl3OS |
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| Molecular Mass | 219.9283 |
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| SMILES | CSCCC(=O)C(Cl)(Cl)Cl |
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| InChI Key | HWIYKXDCQZOKHA-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 chloridesdialkylthioethershydrocarbon derivativesorganic oxidesorganochloridessulfenyl compounds |
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| Substituents | aliphatic acyclic compoundsulfenyl compoundalkyl chloridedialkylthioetherorganochlorideorganosulfur compoundorganohalogen compoundalpha-chloroketoneorganic oxidethioetheralkyl halidehydrocarbon derivative |
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