| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:49 UTC |
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| Update Date | 2025-03-25 00:46:50 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02157596 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H12O4S |
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| Molecular Mass | 228.0456 |
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| SMILES | O=C(O)CCSCOc1ccc(O)cc1 |
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| InChI Key | PEAXZGBWVSDEJF-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 | phenols |
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| Subclass | 4-alkoxyphenols |
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| Direct Parent | 4-alkoxyphenols |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesphenol ethersphenoxy compoundssulfenyl compounds |
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| Substituents | phenol ethermonocyclic benzene moiety4-alkoxyphenolcarbonyl groupcarboxylic acidsulfenyl compound1-hydroxy-2-unsubstituted benzenoidorganosulfur compoundcarboxylic acid derivativearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativephenoxy compoundorganooxygen compound |
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