| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:23:12 UTC |
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| Update Date | 2025-03-25 01:02:11 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02254333 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C6H9F4NO4S |
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| Molecular Mass | 267.0188 |
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| SMILES | CC(C)(C(=O)O)C(F)(F)C(F)(F)S(N)(=O)=O |
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| InChI Key | VDBJDKLRYPCCQT-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 fluoridesaminosulfonyl compoundscarbonyl compoundscarboxylic acidshydrocarbon derivativesmethyl-branched fatty acidsmonocarboxylic acids and derivativesorganic nitrogen compoundsorganic oxidesorganic sulfonamidesorganofluoridesorganosulfonamidesthia fatty acids |
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| Substituents | aliphatic acyclic compoundorganosulfonic acid or derivativescarbonyl groupcarboxylic acidorganosulfur compoundcarboxylic acid derivativeorganohalogen compoundorganosulfonic acid amideorganic oxidealkyl halidehalogenated fatty acidmethyl-branched fatty acidaminosulfonyl compoundalkyl fluorideorganofluoridebranched fatty acidmonocarboxylic acid or derivativesthia fatty acidsulfonylorganic oxygen compoundorganic sulfonic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganic sulfonic acid amideorganooxygen compound |
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