| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:16:47 UTC |
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| Update Date | 2025-03-21 18:34:48 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00102475 |
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| Frequency | 26.6 |
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| Structure | |
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| Chemical Formula | C6H9F3O2 |
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| Molecular Mass | 170.0555 |
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| SMILES | CC(C)C(C(=O)O)C(F)(F)F |
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| InChI Key | NDZIGRYCYVFRGQ-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | lipids and lipid-like molecules |
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| Class | fatty acyls |
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| Subclass | fatty acids and conjugates |
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| Direct Parent | halogenated fatty acids |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alkyl fluoridescarbonyl compoundscarboxylic acidshydrocarbon derivativesmethyl-branched fatty acidsmonocarboxylic acids and derivativesorganic oxidesorganofluorides |
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| Substituents | halogenated fatty acidaliphatic acyclic compoundcarbonyl groupcarboxylic acidmethyl-branched fatty acidalkyl fluorideorganofluoridecarboxylic acid derivativeorganohalogen compoundbranched fatty acidorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundalkyl halidehydrocarbon derivativeorganooxygen compound |
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