Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-21 14:46:48 UTC |
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Update Date | 2025-03-25 00:48:58 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID02171120 |
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Frequency | 0.5 |
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Structure | |
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Chemical Formula | C10H4F16O5S |
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Molecular Mass | 539.9524 |
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SMILES | COS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)O |
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InChI Key | ARQXOXKOEPHNMP-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 | hydroxy acids and derivatives |
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Subclass | medium-chain hydroxy acids and derivatives |
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Direct Parent | medium-chain hydroxy acids and derivatives |
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Geometric Descriptor | aliphatic acyclic compounds |
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Alternative Parents | alkyl fluoridesalpha-halocarboxylic acidscarbonyl compoundscarboxylic acidshalogenated fatty acidshydrocarbon derivativesmedium-chain fatty acidsmonocarboxylic acids and derivativesorganic oxidesorganofluoridesorganosulfonic acid esterssulfonic acid esterssulfonyls |
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Substituents | alpha-halocarboxylic acid or derivativesfatty acylaliphatic acyclic compoundorganosulfonic acid or derivativescarbonyl groupcarboxylic acidfatty acidalpha-halocarboxylic acidorganosulfur compoundcarboxylic acid derivativeorganohalogen compoundmedium-chain hydroxy acidsulfonic acid esterorganic oxidealkyl halidemedium-chain fatty acidhalogenated fatty acidalkyl fluorideorganofluorideorganosulfonic acid estermonocarboxylic acid or derivativessulfonylorganic oxygen compoundorganic sulfonic acid or derivativeshydrocarbon derivativeorganooxygen compound |
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