| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:08 UTC |
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| Update Date | 2025-03-25 00:50:28 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02181124 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C6H6F4O4 |
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| Molecular Mass | 218.0202 |
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| SMILES | O=C(O)CC(F)(CC(=O)O)C(F)(F)F |
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| InChI Key | LNDMBZFAJVXHAD-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 fluoridesbranched fatty acidscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganofluorides |
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| Substituents | halogenated fatty acidaliphatic acyclic compoundcarbonyl groupcarboxylic acidalkyl fluorideorganofluoridecarboxylic acid derivativeorganohalogen compoundbranched fatty acidorganic oxideorganic oxygen compounddicarboxylic acid or derivativesalkyl halidehydrocarbon derivativeorganooxygen compound |
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