| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:54:20 UTC |
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| Update Date | 2025-03-21 18:04:11 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00048948 |
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| Frequency | 67.5 |
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| Structure | |
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| Chemical Formula | C6H8F2O3 |
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| Molecular Mass | 166.0442 |
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| SMILES | CC(C)C(=O)C(F)(F)C(=O)O |
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| InChI Key | LQBHKQOBJSGXJC-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 | alkyl fluoridesalpha-halocarboxylic acidsalpha-haloketonesbeta-hydroxy ketonesbeta-keto acids and derivativescarboxylic acidsfatty acylshydrocarbon derivativesmethyl-branched fatty acidsmonocarboxylic acids and derivativesorganic oxidesorganofluoridesshort-chain keto acids and derivatives |
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| Substituents | alpha-halocarboxylic acid or derivativesbeta-hydroxy ketonealiphatic acyclic compoundcarbonyl groupcarboxylic acidshort-chain keto acidalpha-halocarboxylic acidcarboxylic acid derivativeorganohalogen compoundbeta-keto acidketoneorganic oxidealpha-haloketonealkyl halidehalogenated fatty acidmethyl-branched fatty acidalkyl fluorideorganofluoridebranched fatty acidmonocarboxylic acid or derivativesorganic oxygen compoundketo acidhydrocarbon derivativeorganooxygen compound |
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