| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:31:01 UTC |
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| Update Date | 2025-03-25 00:43:16 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02135098 |
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| Frequency | 0.6 |
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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 | O=C(O)CC=CCl |
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| InChI Key | MSNHXOWRTKCJRK-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 acidschloroalkenesfatty acylshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganochloridesstraight chain fatty acidsvinyl chlorides |
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| Substituents | halogenated fatty acidaliphatic acyclic compoundcarbonyl groupstraight chain fatty acidcarboxylic acidchloroalkeneorganochloridecarboxylic acid derivativeorganohalogen compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundvinyl halidehaloalkenehydrocarbon derivativevinyl chlorideorganooxygen compound |
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