| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:10:37 UTC |
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| Update Date | 2025-03-25 00:57:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02225758 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H9ClO2 |
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| Molecular Mass | 160.0291 |
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| SMILES | CC(C)=CC=C(Cl)C(=O)O |
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| InChI Key | XTNPJHRHXPEFIK-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 acidsbranched fatty 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 compoundbranched fatty acidunsaturated fatty acidorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundvinyl halidehaloalkenehydrocarbon derivativemedium-chain fatty acidvinyl chlorideorganooxygen compound |
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