| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:59:48 UTC |
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| Update Date | 2025-03-25 00:53:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02200837 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H15NO2S |
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| Molecular Mass | 225.0824 |
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| SMILES | COc1ccc(SCCNC(C)=O)cc1 |
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| InChI Key | YWCIUAZHSNNFTC-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 | thiophenols |
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| Subclass | thiophenols |
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| Direct Parent | thiophenols |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | acetamidesalkyl aryl ethersalkylarylthioethersanisolescarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativesmethoxybenzenesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenoxy compoundssecondary carboxylic acid amidessulfenyl compoundsthiophenol ethers |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupetheralkyl aryl etheralkylarylthioetherorganosulfur compoundcarboxylic acid derivativearyl thioetherorganic oxidethiophenolthiophenol etherorganonitrogen compoundorganopnictogen compoundacetamidesulfenyl compoundcarboxamide groupmethoxybenzenearomatic homomonocyclic compoundsecondary carboxylic acid amideorganic oxygen compoundthioetheranisolehydrocarbon derivativeorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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