| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:03:39 UTC |
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| Update Date | 2025-03-25 00:54:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02209681 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C6H7F3O4 |
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| Molecular Mass | 200.0296 |
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| SMILES | CC(O)C(C(=O)O)C(=O)C(F)(F)F |
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| InChI Key | FVNLACCMYGFYMX-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 fluoridesalpha-haloketonesbeta hydroxy acids and derivativesbeta-hydroxy ketonesbeta-keto acids and derivativesbranched fatty acidscarboxylic acidsfatty acylshydrocarbon derivativeshydroxy fatty acidsmonocarboxylic acids and derivativesorganic oxidesorganofluoridessecondary alcoholsshort-chain keto acids and derivatives |
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| Substituents | beta-hydroxy ketonealiphatic acyclic compoundcarbonyl groupcarboxylic acidshort-chain keto acidcarboxylic acid derivativeorganohalogen compoundbeta-keto acidketonebeta-hydroxy acidorganic oxidealpha-haloketonealkyl halidehydroxy fatty acidhalogenated fatty acidalcoholalkyl fluorideorganofluoridehydroxy acidbranched fatty acidmonocarboxylic acid or derivativesorganic oxygen compoundketo acidsecondary alcoholhydrocarbon derivative1,3-dicarbonyl compoundorganooxygen compound |
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