| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 10:28:23 UTC |
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| Update Date | 2025-03-24 20:46:14 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01558602 |
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| Frequency | 0.8 |
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| Structure | |
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| Chemical Formula | C4H7ClO2 |
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| Molecular Mass | 122.0135 |
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| SMILES | CC(O)(C=O)CCl |
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| InChI Key | SSVFRKRGWDKREE-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 | alcohols and polyols |
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| Direct Parent | tertiary alcohols |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alkyl chloridesalpha-hydroxyaldehydeschlorohydrinshydrocarbon derivativesorganic oxidesorganochlorides |
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| Substituents | aliphatic acyclic compoundcarbonyl groupchlorohydrinhalohydrinalkyl chlorideorganochloridealdehydeorganohalogen compoundtertiary alcoholorganic oxidealpha-hydroxyaldehydealkyl halidehydrocarbon derivative |
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