| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:54:46 UTC |
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| Update Date | 2025-03-25 00:51:47 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02189387 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H6F6O3 |
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| Molecular Mass | 252.0221 |
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| SMILES | CC(CC(=O)C(F)(F)F)(C(=O)O)C(F)(F)F |
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| InChI Key | DQFQWGJWGUWAIT-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 | gamma-keto acids and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alkyl fluoridesalpha-haloketonescarboxylic acidsfatty acylshalogenated fatty acidshydrocarbon derivativesmethyl-branched fatty acidsmonocarboxylic acids and derivativesorganic oxidesorganofluoridesshort-chain keto acids and derivatives |
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| Substituents | halogenated fatty acidfatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidmethyl-branched fatty acidalkyl fluorideorganofluorideshort-chain keto acidcarboxylic acid derivativeorganohalogen compoundbranched fatty acidgamma-keto acidketoneorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundalpha-haloketonealkyl halidehydrocarbon derivativeorganooxygen compound |
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