| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:28:18 UTC |
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| Update Date | 2025-03-21 18:40:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00130148 |
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| Frequency | 19.5 |
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| Structure | |
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| Chemical Formula | C5H3F3O4 |
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| Molecular Mass | 183.9983 |
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| SMILES | O=C(O)C(=O)CC(=O)C(F)(F)F |
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| InChI Key | ITGUYLIGSYCTRL-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 | gamma-keto acids and derivatives |
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| Direct Parent | 3-acylpyruvic acids |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alkyl fluoridesalpha-haloketonesalpha-hydroxy ketonesalpha-keto acids and derivativescarboxylic acidsfatty acylshalogenated fatty acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganofluoridesshort-chain keto acids and derivatives |
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| Substituents | halogenated fatty acidfatty acylaliphatic acyclic compoundcarbonyl group3-acylpyruvic acidcarboxylic acidalkyl fluorideorganofluorideshort-chain keto acidalpha-hydroxy ketonecarboxylic acid derivativeorganohalogen compoundketoneorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundalpha-keto acidalpha-haloketonealkyl halidehydrocarbon derivativeorganooxygen compound |
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