| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:57:15 UTC |
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| Update Date | 2025-03-25 00:52:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02194909 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H13F8NO6S |
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| Molecular Mass | 439.0336 |
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| SMILES | CCOC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)N(CC)CC(=O)O |
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| InChI Key | MOOXLHUHLFBEHU-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 | alkyl fluoridesalpha-halocarboxylic acid derivativesaminosulfonyl compoundscarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativesfatty acid estershydrocarbon derivativesorganic oxidesorganic sulfonamidesorganofluoridesorganonitrogen compoundsorganopnictogen compoundsorganosulfonamides |
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| Substituents | alpha-halocarboxylic acid or derivativesfatty acylaliphatic acyclic compoundorganosulfonic acid or derivativescarbonyl groupcarboxylic acidorganosulfur compoundorganohalogen compoundorganosulfonic acid amideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundalkyl halideaminosulfonyl compoundalkyl fluorideorganofluoridealpha-halocarboxylic acid derivativefatty acid estersulfonylorganic oxygen compoundorganic sulfonic acid or derivativescarboxylic acid esterdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganic sulfonic acid amideorganooxygen compound |
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