| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:19 UTC |
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| Update Date | 2025-03-25 00:53:47 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02201980 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H12O3S |
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| Molecular Mass | 188.0507 |
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| SMILES | CSCC1(O)C=CC(O)CC1=O |
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| InChI Key | CODOVBQOLGRVNW-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbonyl compounds |
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| Direct Parent | cyclohexenones |
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| Geometric Descriptor | aliphatic homomonocyclic compounds |
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| Alternative Parents | acyloinsdialkylthioethershydrocarbon derivativesorganic oxidessecondary alcoholssulfenyl compoundstertiary alcohols |
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| Substituents | alcoholcyclohexenonesulfenyl compounddialkylthioetherorganosulfur compoundtertiary alcoholorganic oxidethioetheracyloinsecondary alcoholaliphatic homomonocyclic compoundhydrocarbon derivative |
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