| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:28:27 UTC |
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| Update Date | 2025-03-21 18:40:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00130507 |
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| Frequency | 19.4 |
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| Structure | |
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| Chemical Formula | C8H13ClO2 |
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| Molecular Mass | 176.0604 |
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| SMILES | CCCCCC=C(Cl)C(=O)O |
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| InChI Key | OIXSFDJYXZWOJK-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 | medium-chain fatty acids |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha-halocarboxylic acidscarbonyl compoundscarboxylic acidschloroalkeneshalogenated fatty acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganochloridesunsaturated fatty acidsvinyl chlorides |
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| Substituents | alpha-halocarboxylic acid or derivativeshalogenated fatty acidaliphatic acyclic compoundcarbonyl groupcarboxylic acidchloroalkeneorganochloridealpha-halocarboxylic acidcarboxylic acid derivativeorganohalogen compoundunsaturated fatty acidorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundvinyl halidehaloalkenehydrocarbon derivativemedium-chain fatty acidvinyl chlorideorganooxygen compound |
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