| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:02:51 UTC |
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| Update Date | 2025-03-21 18:07:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00068969 |
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| Frequency | 43.8 |
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| Structure | |
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| Chemical Formula | C12H17NOS |
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| Molecular Mass | 223.1031 |
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| SMILES | CC(=O)NCCSCc1ccc(C)cc1 |
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| InChI Key | NPGOVUQHWIVQLA-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | toluenes |
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| Direct Parent | toluenes |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | acetamidescarbonyl compoundscarboxylic acids and derivativesdialkylthioethershydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidessulfenyl compounds |
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| Substituents | carbonyl groupsulfenyl compounddialkylthioetherorganosulfur compoundcarboxamide groupcarboxylic acid derivativearomatic homomonocyclic compoundsecondary carboxylic acid amideorganic oxideorganic oxygen compoundthioetherorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundtolueneacetamideorganooxygen compound |
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