| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:22:48 UTC |
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| Update Date | 2025-03-25 01:02:04 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02253454 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H11F3OS |
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| Molecular Mass | 248.0483 |
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| SMILES | O=C(CSCCC(F)(F)F)c1ccccc1 |
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| InChI Key | XRGOZPPPIBSTCJ-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbonyl compounds |
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| Direct Parent | alkyl-phenylketones |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkyl fluoridesaryl alkyl ketonesbenzoyl derivativesdialkylthioethershydrocarbon derivativesorganic oxidesorganofluoridesorganooxygen compoundssulfenyl compounds |
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| Substituents | monocyclic benzene moietyaryl alkyl ketonesulfenyl compoundalkyl fluorideorganofluoridedialkylthioetherbenzoylorganosulfur compoundorganohalogen compoundaromatic homomonocyclic compoundorganic oxidethioetheralkyl halidehydrocarbon derivativebenzenoidalkyl-phenylketone |
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