| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:45:45 UTC |
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| Update Date | 2025-03-25 00:48:32 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02168718 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H19NOS |
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| Molecular Mass | 237.1187 |
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| SMILES | CC(C)C(=O)NCCSCc1ccccc1 |
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| InChI Key | HRQCTPTZOWSYOY-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 | benzene and substituted derivatives |
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| Direct Parent | benzene and substituted derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acids and derivativesdialkylthioethershydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidessulfenyl compounds |
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| Substituents | monocyclic benzene moietycarbonyl groupsulfenyl compounddialkylthioetherorganosulfur compoundcarboxamide groupcarboxylic acid derivativearomatic homomonocyclic compoundsecondary carboxylic acid amideorganic oxideorganic oxygen compoundthioetherorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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