| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:20 UTC |
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| Update Date | 2025-03-25 00:50:32 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02181573 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C5H7F2NO3S |
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| Molecular Mass | 199.0115 |
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| SMILES | O=C(O)CCN=C(S)C(O)(F)F |
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| InChI Key | DIKYCLYMMRWGMR-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 | carboxylic acids |
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| Direct Parent | carboxylic acids |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alcohols and polyolsalkyl fluoridesalkylthiolscarbonyl compoundshydrocarbon derivativesimidothioic acids and derivativesmonocarboxylic acids and derivativesorganic oxidesorganofluoridesorganonitrogen compoundsorganopnictogen compoundsorganosulfur compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | alcoholaliphatic acyclic compoundcarbonyl groupcarboxylic acidalkyl fluorideorganofluorideorganic 1,3-dipolar compoundorganosulfur compoundorganohalogen compoundpropargyl-type 1,3-dipolar organic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundalkyl halidehydrocarbon derivativeorganic nitrogen compoundimidothioic acid or derivativesalkylthiolorganooxygen compound |
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