| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:53:22 UTC |
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| Update Date | 2025-03-25 00:51:19 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02186159 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C6H5F3O4 |
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| Molecular Mass | 198.014 |
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| SMILES | O=C(CC(=O)C(=O)O)CC(F)(F)F |
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| InChI Key | IFKBGKNQSWXGSP-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | keto acids and derivatives |
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| Subclass | medium-chain keto acids and derivatives |
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| Direct Parent | medium-chain keto acids and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | 3-acylpyruvic acidsalkyl fluoridesalpha-hydroxy ketonesalpha-keto acids and derivativescarboxylic acidsfatty acylshalogenated fatty acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganofluorides |
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| Substituents | halogenated fatty acidfatty acylaliphatic acyclic compoundcarbonyl group3-acylpyruvic acidcarboxylic acidalkyl fluorideorganofluoridealpha-hydroxy ketonecarboxylic acid derivativeorganohalogen compoundgamma-keto acidketoneorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundalpha-keto acidalkyl halidehydrocarbon derivativeorganooxygen compoundmedium-chain keto acid |
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