| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:21:20 UTC |
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| Update Date | 2025-03-25 01:01:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02250141 |
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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 | CSCCOC(=O)c1cc(O)ccc1O |
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| InChI Key | UUJUIFPGYIFOAR-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 | benzoic acids and derivatives |
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| Direct Parent | m-hydroxybenzoic acid esters |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsbenzoyl derivativescarboxylic acid estersdialkylthioethershydrocarbon derivativeshydroquinonesmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundssalicylic acid and derivativessulfenyl compoundsvinylogous acidso-hydroxybenzoic acid esters |
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| Substituents | benzoyl1-hydroxy-2-unsubstituted benzenoidorganosulfur compoundcarboxylic acid derivativeorganic oxidem-hydroxybenzoic acid estersulfenyl compounddialkylthioetherhydroquinonearomatic homomonocyclic compoundvinylogous acidmonocarboxylic acid or derivativesorganic oxygen compoundsalicylic acid or derivativeso-hydroxybenzoic acid esterthioethercarboxylic acid esterphenolhydrocarbon derivativeorganooxygen compound |
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