| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 01:04:43 UTC |
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| Update Date | 2025-03-21 19:02:54 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00215286 |
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| Frequency | 10.2 |
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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 | CC(=O)C(Cl)C(=O)O |
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| InChI Key | VCBFAUSKNYAKJZ-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 | 1,3-dicarbonyl compoundsalkyl chloridesalpha-chloroketonesalpha-halocarboxylic acidsbeta-hydroxy ketonesbeta-keto acids and derivativescarboxylic acidsfatty acylshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganochloridesshort-chain keto acids and derivatives |
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| Substituents | alpha-halocarboxylic acid or derivativesbeta-hydroxy ketonealiphatic acyclic compoundcarbonyl groupcarboxylic acidalkyl chlorideorganochlorideshort-chain keto acidalpha-halocarboxylic acidcarboxylic acid derivativeorganohalogen compoundbeta-keto acidketoneorganic oxidealpha-haloketonealkyl halidehalogenated fatty acidalpha-chloroketonemonocarboxylic acid or derivativesorganic oxygen compoundketo acidhydrocarbon derivative1,3-dicarbonyl compoundorganooxygen compound |
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