| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:10:51 UTC |
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| Update Date | 2025-03-21 18:31:52 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00088042 |
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| Frequency | 32.2 |
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| Structure | |
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| Chemical Formula | C7H10O9S |
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| Molecular Mass | 270.0046 |
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| SMILES | O=C1CC(O)(C(=O)O)CC(O)C1OS(=O)(=O)O |
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| InChI Key | LEDQVHBWNQSCMH-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | organic sulfuric acids and derivatives |
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| Subclass | sulfuric acid esters |
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| Direct Parent | sulfuric acid monoesters |
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| Geometric Descriptor | aliphatic homomonocyclic compounds |
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| Alternative Parents | alkyl sulfatesalpha hydroxy acids and derivativescarboxylic acidscyclic ketonescyclitols and derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidessecondary alcoholstertiary alcohols |
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| Substituents | alcoholsulfuric acid monoestercarbonyl groupcarboxylic acidalpha-hydroxy acidcyclitol or derivativescyclic ketonehydroxy acidcyclic alcoholcarboxylic acid derivativeketonetertiary alcoholorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundalkyl sulfatesecondary alcoholaliphatic homomonocyclic compoundsulfate-esterhydrocarbon derivativeorganooxygen compound |
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