| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:58:36 UTC |
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| Update Date | 2025-03-21 18:05:46 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00058827 |
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| Frequency | 53.6 |
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| Structure | |
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| Chemical Formula | C3HCl3O2 |
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| Molecular Mass | 173.9042 |
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| SMILES | O=C(O)C(Cl)=C(Cl)Cl |
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| InChI Key | WMUBNWIGNSIRDH-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | alpha-halocarboxylic acids and derivatives |
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| Direct Parent | alpha-halocarboxylic acids |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acidschloroalkeneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganochloridesvinyl chloridesvinylogous halides |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidchloroalkeneorganochloridealpha-halocarboxylic acidorganohalogen compoundvinylogous halideorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundvinyl halidehaloalkenehydrocarbon derivativevinyl chlorideorganooxygen compound |
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