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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