| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:55:08 UTC |
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| Update Date | 2025-03-21 18:04:28 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00050811 |
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| Frequency | 64.5 |
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| Structure | |
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| Chemical Formula | C10H3F18NO4S |
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| Molecular Mass | 574.9495 |
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| SMILES | O=C(O)CN(F)S(=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)F |
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| InChI Key | MEEGGXVGEHHOTK-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organohalogen compounds |
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| Class | alkyl halides |
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| Subclass | alkyl fluorides |
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| Direct Parent | perfluorooctane sulfonic acid and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alkyl fluoridesalpha amino acidsaminosulfonyl compoundscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganofluoridesorganonitrogen compoundsorganopnictogen compoundsorganosulfonic acids and derivatives |
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| Substituents | aliphatic acyclic compoundorganosulfonic acid or derivativescarbonyl groupcarboxylic acidalpha-amino acid or derivativesorganosulfur compoundcarboxylic acid derivativeorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundperfluorooctane sulfonic acid or derivativesaminosulfonyl compoundorganofluoridemonocarboxylic acid or derivativessulfonylorganic oxygen compoundorganic sulfonic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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