| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:22 UTC |
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| Update Date | 2025-03-25 00:45:54 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02152007 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C6H5F6NO6S |
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| Molecular Mass | 332.9742 |
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| SMILES | NC(C(=O)O)C(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)O |
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| InChI Key | DREUSXHRXBLHKV-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 | 1,3-dicarbonyl compoundsalkyl fluoridesalpha-haloketonesbeta-hydroxy ketonesbeta-keto acids and derivativescarboxylic acidsfatty acylshalogenated fatty acidshydrocarbon derivativesmedium-chain keto acids and derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganofluoridesorganonitrogen compoundsorganopnictogen compoundsorganosulfonic acidssulfonyls |
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| Substituents | fatty acylbeta-hydroxy ketonealiphatic acyclic compoundorganosulfonic acid or derivativescarbonyl groupcarboxylic acidorganosulfonic acidorganosulfur compoundorganohalogen compoundbeta-keto acidketoneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundalpha-haloketonealkyl halidehalogenated fatty acidalkyl fluorideorganofluoridemonocarboxylic acid or derivativessulfonylorganic oxygen compoundorganic sulfonic acid or derivativesketo acidhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compound1,3-dicarbonyl compoundorganooxygen compoundmedium-chain keto acid |
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