| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:31 UTC |
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| Update Date | 2025-03-25 00:46:43 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02156950 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C6H8O4S |
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| Molecular Mass | 176.0143 |
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| SMILES | O=C1C=CCC(S(=O)(=O)O)C1 |
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| InChI Key | TUCJDBAGUAAIQY-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 | hydrocarbon derivativesorganic oxidesorganosulfonic acidssulfonyls |
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| Substituents | cyclohexenoneorganosulfonic acid or derivativesorganosulfonic acidorganosulfur compoundorganic oxidesulfonylorganic sulfonic acid or derivativesaliphatic homomonocyclic compoundhydrocarbon derivative |
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