Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-21 00:18:00 UTC |
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Update Date | 2025-03-21 18:35:24 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID00105457 |
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Frequency | 25.6 |
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Structure | |
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Chemical Formula | C7H8F4O3 |
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Molecular Mass | 216.041 |
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SMILES | CC(C)C(=O)C(F)(F)C(F)(F)C(=O)O |
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InChI Key | CJOREZMGSXXXQC-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 | alkyl fluoridesalpha-halocarboxylic acidsalpha-haloketonesbranched fatty acidscarboxylic acidsfatty acylsgamma-keto acids and derivativeshalogenated fatty acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganofluorides |
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Substituents | halogenated fatty acidalpha-halocarboxylic acid or derivativesfatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidalkyl fluorideorganofluoridealpha-halocarboxylic acidcarboxylic acid derivativeorganohalogen compoundbranched fatty acidgamma-keto acidketoneorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundalpha-haloketonealkyl halidehydrocarbon derivativeorganooxygen compoundmedium-chain keto acid |
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