| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:59:57 UTC |
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| Update Date | 2025-03-21 18:06:15 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00062112 |
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| Frequency | 50.0 |
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| Structure | |
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| Chemical Formula | C5H5F3O4 |
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| Molecular Mass | 186.014 |
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| SMILES | CC(O)(C(=O)O)C(=O)C(F)(F)F |
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| InChI Key | LWHFBXSJGMNOHW-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 | acyloinsalkyl fluoridesalpha hydroxy acids and derivativesalpha-haloketonesalpha-hydroxy ketonesbeta-hydroxy ketonesbeta-keto acids and derivativescarboxylic acidsfatty acylshydrocarbon derivativeshydroxy fatty acidsmethyl-branched fatty acidsmonocarboxylic acids and derivativesorganic oxidesorganofluoridesshort-chain keto acids and derivativestertiary alcohols |
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| Substituents | beta-hydroxy ketonealiphatic acyclic compoundcarbonyl groupcarboxylic acidalpha-hydroxy acidshort-chain keto acidalpha-hydroxy ketonecarboxylic acid derivativeorganohalogen compoundbeta-keto acidketoneorganic oxidealpha-haloketonealkyl halidehydroxy fatty acidhalogenated fatty acidalcoholmethyl-branched fatty acidalkyl fluorideorganofluoridehydroxy acidbranched fatty acidtertiary alcoholmonocarboxylic acid or derivativesorganic oxygen compoundketo acidacyloinhydrocarbon derivativeorganooxygen compound |
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