| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 02:00:34 UTC |
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| Update Date | 2025-03-21 20:10:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00344348 |
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| Frequency | 5.5 |
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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(Cl)=CC(=O)O |
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| InChI Key | XBOTUWGQYMHUFO-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | lipids and lipid-like molecules |
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| Class | fatty acyls |
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| Subclass | fatty acids and conjugates |
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| Direct Parent | halogenated fatty acids |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acidschloroalkeneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganochloridesunsaturated fatty acidsvinyl chloridesvinylogous halides |
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| Substituents | halogenated fatty acidaliphatic acyclic compoundcarbonyl groupcarboxylic acidchloroalkeneorganochloridecarboxylic acid derivativeorganohalogen compoundvinylogous halideunsaturated fatty acidorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundvinyl halidehaloalkenehydrocarbon derivativevinyl chlorideorganooxygen compound |
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