| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:49:51 UTC |
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| Update Date | 2025-03-25 00:50:01 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02178225 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H14O9S |
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| Molecular Mass | 286.0359 |
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| SMILES | COC(=O)C1CC(OS(=O)(=O)O)C(O)C(O)C1O |
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| InChI Key | PQKMRWYYWJBWQK-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 | alcohols and polyols |
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| Direct Parent | cyclohexanols |
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| Geometric Descriptor | aliphatic homomonocyclic compounds |
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| Alternative Parents | alkyl sulfatesbeta hydroxy acids and derivativescarbonyl compoundscyclitols and derivativeshydrocarbon derivativesmethyl estersmonocarboxylic acids and derivativesorganic oxidessulfuric acid monoesters |
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| Substituents | sulfuric acid monoestercarbonyl grouporganic sulfuric acid or derivativescyclohexanolcyclitol or derivativeshydroxy acidcyclic alcoholcarboxylic acid derivativebeta-hydroxy acidorganic oxidemonocarboxylic acid or derivativesmethyl estercarboxylic acid esteralkyl sulfatealiphatic homomonocyclic compoundsulfate-esterhydrocarbon derivativesulfuric acid ester |
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