| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:16:18 UTC |
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| Update Date | 2025-03-25 00:59:39 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02238512 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H14O13S2 |
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| Molecular Mass | 381.9876 |
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| SMILES | O=C(O)C1(O)CC(O)C(OS(=O)(=O)O)C(OS(=O)(=O)O)C(O)C1 |
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| InChI Key | ZCTMPCIJWIKQRW-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 derivativescarbonyl compoundscarboxylic acidscyclic alcohols and derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidessecondary alcoholstertiary alcohols |
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| Substituents | alcoholsulfuric acid monoestercarbonyl groupcarboxylic acidalpha-hydroxy acidhydroxy acidcyclic alcoholcarboxylic acid derivativetertiary alcoholorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundalkyl sulfatesecondary alcoholaliphatic homomonocyclic compoundsulfate-esterhydrocarbon derivativeorganooxygen compound |
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