| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:10:45 UTC |
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| Update Date | 2025-03-25 00:57:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02226060 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H17NO2S |
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| Molecular Mass | 251.098 |
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| SMILES | CC(=O)NCCSCc1ccccc1C(C)=O |
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| InChI Key | LWSUSICRROXDAO-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 | acetamidesacetophenonesaryl alkyl ketonesbenzoyl derivativescarboxylic acids and derivativesdialkylthioethershydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidessulfenyl compounds |
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| Substituents | monocyclic benzene moietyaryl alkyl ketonebenzoylorganosulfur compoundcarboxylic acid derivativeorganic oxideorganonitrogen compoundacetophenoneorganopnictogen compoundacetamidesulfenyl compounddialkylthioethercarboxamide grouparomatic homomonocyclic compoundsecondary carboxylic acid amidethioetherhydrocarbon derivativebenzenoidorganic nitrogen compoundalkyl-phenylketone |
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