| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:54:27 UTC |
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| Update Date | 2025-03-25 00:51:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02188646 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H12O3S |
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| Molecular Mass | 224.0507 |
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| SMILES | CC(SC(=O)Cc1ccccc1)C(=O)O |
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| InChI Key | IJSCELXWYGWNGI-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 compoundscarbothioic s-esterscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidessulfenyl compoundsthioestersthiolactones |
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| Substituents | monocyclic benzene moietythiocarboxylic acid or derivativescarbonyl groupcarboxylic acidsulfenyl compoundthiocarboxylic acid esterorganosulfur compoundcarboxylic acid derivativecarbothioic s-esteraromatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativethiolactoneorganooxygen compound |
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