| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:19:11 UTC |
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| Update Date | 2025-03-25 01:00:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02245207 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H7F16NO7S |
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| Molecular Mass | 624.9688 |
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| SMILES | CN(CC(=O)O)S(=O)(=O)C(=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 | LRFAYEDKGYBVJS-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 | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | alpha amino acids |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | acylsulfonic acids and derivativesalkyl fluoridesalpha-halocarboxylic acidsaminosulfonyl compoundscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshalogenated fatty acidshydrocarbon derivativesmedium-chain fatty acidsorganic oxidesorganic sulfonamidesorganofluoridesorganonitrogen compoundsorganopnictogen compoundsorganosulfonamidesthiolactones |
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| Substituents | alpha-halocarboxylic acid or derivativesfatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidfatty acidalpha-halocarboxylic acidorganosulfur compoundorganohalogen compoundorganosulfonic acid amideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundalkyl halidemedium-chain fatty acidthiolactonehalogenated fatty acidaminosulfonyl compoundalkyl fluorideorganofluorideacylsulfonic acid or derivativessulfonylorganic oxygen compoundorganic sulfonic acid or derivativesdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganic sulfonic acid amideorganooxygen compound |
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