| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:21:24 UTC |
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| Update Date | 2025-03-21 18:37:03 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00113737 |
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| Frequency | 23.3 |
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| Structure | |
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| Chemical Formula | C14H17NO4S |
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| Molecular Mass | 295.0878 |
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| SMILES | COc1ccc(C2SCN(C)C(=O)C2OC(C)=O)cc1 |
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| InChI Key | QQMCGWVJIPOKPK-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 | phenol ethers |
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| Subclass | anisoles |
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| Direct Parent | anisoles |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alkyl aryl ethersazacyclic compoundscarbonyl compoundscarboxylic acid estersdialkylthioethershydrocarbon derivativeslactamsmethoxybenzenesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenoxy compoundstertiary carboxylic acid amidesthiazinanesthiohemiaminal derivatives |
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| Substituents | monocyclic benzene moietycarbonyl groupetherlactamaromatic heteromonocyclic compoundalkyl aryl ethercarboxylic acid derivativeorganic oxidetertiary carboxylic acid amideorganonitrogen compoundhemithioaminalorganopnictogen compoundorganoheterocyclic compoundazacycledialkylthioethercarboxamide groupmethoxybenzenemonocarboxylic acid or derivativesorganic oxygen compoundthioetheranisolecarboxylic acid esterhydrocarbon derivativeorganic nitrogen compoundphenoxy compound1,3-thiazinaneorganooxygen compound |
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