| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 05:08:48 UTC |
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| Update Date | 2025-03-24 14:12:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00791649 |
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| Frequency | 1.9 |
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| Structure | |
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| Chemical Formula | C4H5ClO3 |
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| Molecular Mass | 135.9927 |
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| SMILES | O=C(O)C(Cl)=CCO |
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| InChI Key | JOGRZQQJRHALOK-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 | alpha-halocarboxylic acidscarbonyl compoundscarboxylic acidschloroalkeneshydrocarbon derivativeshydroxy fatty acidsmonocarboxylic acids and derivativesorganic oxidesorganochloridesprimary alcoholsshort-chain hydroxy acids and derivativesunsaturated fatty acidsvinyl chlorides |
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| Substituents | alpha-halocarboxylic acid or derivativesaliphatic acyclic compoundcarbonyl groupcarboxylic acidshort-chain hydroxy acidorganochloridealpha-halocarboxylic acidcarboxylic acid derivativeorganohalogen compoundunsaturated fatty acidorganic oxidehydroxy fatty acidprimary alcoholalcoholhalogenated fatty acidchloroalkenemonocarboxylic acid or derivativesorganic oxygen compoundvinyl halidehaloalkenehydrocarbon derivativevinyl chlorideorganooxygen compound |
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