| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:21:16 UTC |
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| Update Date | 2025-03-25 01:01:32 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02250022 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H16O2S |
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| Molecular Mass | 224.0871 |
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| SMILES | CSc1cc(C=O)cc(C(C)(C)C)c1O |
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| InChI Key | SZUCABNLDKWJIR-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 | phenylpropanes |
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| Direct Parent | phenylpropanes |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkylarylthioethersbenzoyl derivativeshydrocarbon derivativeshydroxybenzaldehydesorganic oxidesorganooxygen compoundsphenolssulfenyl compoundsthiophenol ethersthiophenols |
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| Substituents | sulfenyl compoundbenzoylaldehydealkylarylthioetherorganosulfur compoundaryl thioetherphenylpropanearomatic homomonocyclic compoundbenzaldehydeorganic oxidethiophenolaryl-aldehydeorganic oxygen compoundthioetherthiophenol etherphenolhydrocarbon derivativehydroxybenzaldehydeorganooxygen compound |
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