| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:10:36 UTC |
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| Update Date | 2025-03-25 00:57:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02225731 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H12F4O3 |
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| Molecular Mass | 244.0723 |
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| SMILES | CC(C)C(=O)CCC(F)(F)C(F)(F)C(=O)O |
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| InChI Key | SEILFVGRLJEHBU-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 | medium-chain fatty acids |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alkyl fluoridesalpha-halocarboxylic acidsbranched fatty acidscarboxylic acidshalogenated fatty acidshydrocarbon derivativesketonesmonocarboxylic acids and derivativesorganic oxidesorganofluorides |
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| Substituents | halogenated fatty acidalpha-halocarboxylic acid or derivativesaliphatic acyclic compoundcarbonyl groupcarboxylic acidalkyl fluorideorganofluoridealpha-halocarboxylic acidcarboxylic acid derivativeorganohalogen compoundbranched fatty acidketoneorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundalkyl halidehydrocarbon derivativemedium-chain fatty acidorganooxygen compound |
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