| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:15:20 UTC |
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| Update Date | 2025-03-25 00:59:18 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02236345 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H15NO2S |
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| Molecular Mass | 237.0824 |
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| SMILES | CSc1cccc(C(=O)CCNC(C)=O)c1 |
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| InChI Key | TZHVQCQTNITRKT-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 | acetamidesalkylarylthioethersaryl alkyl ketonesbenzoyl derivativescarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidessulfenyl compoundsthiophenol ethersthiophenols |
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| Substituents | monocyclic benzene moietyaryl alkyl ketonebenzoylalkylarylthioetherorganosulfur compoundcarboxylic acid derivativearyl thioetherorganic oxidethiophenolthiophenol etherorganonitrogen compoundorganopnictogen compoundacetamidesulfenyl compoundcarboxamide grouparomatic homomonocyclic compoundsecondary carboxylic acid amidethioetherhydrocarbon derivativebenzenoidorganic nitrogen compoundalkyl-phenylketone |
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