| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:13:58 UTC |
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| Update Date | 2025-03-25 00:58:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02233186 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H15NO2S |
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| Molecular Mass | 225.0824 |
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| SMILES | CSCCC(N)C(=O)c1ccc(O)cc1 |
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| InChI Key | JQILTESMQTUWHT-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 | 1-hydroxy-2-unsubstituted benzenoidsaryl alkyl ketonesbenzoyl derivativesbutyrophenonesdialkylthioethershydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundssulfenyl compounds |
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| Substituents | monocyclic benzene moietyaryl alkyl ketonebenzoyl1-hydroxy-2-unsubstituted benzenoidorganosulfur compoundorganic oxideorganonitrogen compoundorganopnictogen compoundsulfenyl compounddialkylthioetherbutyrophenonearomatic homomonocyclic compoundthioetherphenolhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundalkyl-phenylketone |
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