| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 17:21:46 UTC |
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| Update Date | 2025-03-25 01:49:13 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02529298 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C5H5ClO |
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| Molecular Mass | 116.0029 |
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| SMILES | O=C1C=CCC1Cl |
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| InChI Key | NMCSYMFDKREZQJ-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 homomonocyclic compounds |
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| Alternative Parents | alkyl chloridescyclic ketoneshydrocarbon derivativesorganic oxidesorganochlorides |
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| Substituents | alkyl chlorideorganochloridecyclic ketoneorganohalogen compoundalpha-chloroketoneorganic oxidealiphatic homomonocyclic compoundalkyl halidehydrocarbon derivative |
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