| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:12 UTC |
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| Update Date | 2025-03-25 00:50:08 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02178983 |
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| Frequency | 0.5 |
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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 | CSCCC(=O)Nc1cc(C)ccc1C |
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| InChI Key | QGSMKZBSHQIWHU-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 | anilides |
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| Direct Parent | anilides |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acids and derivativesdialkylthioethershydrocarbon derivativesn-arylamidesorganic oxidesorganopnictogen compoundssecondary carboxylic acid amidessulfenyl compoundsp-xylenes |
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| Substituents | carbonyl groupsulfenyl compounddialkylthioethern-arylamideorganosulfur compoundcarboxamide groupcarboxylic acid derivativearomatic homomonocyclic compoundxyleneanilidesecondary carboxylic acid amideorganic oxidep-xyleneorganic oxygen compoundthioetherorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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