| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:24:37 UTC |
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| Update Date | 2025-03-21 18:38:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00121453 |
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| Frequency | 21.3 |
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| Structure | |
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| Chemical Formula | C7H12O10S |
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| Molecular Mass | 288.0151 |
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| SMILES | O=C(O)C1(O)CC(O)C(OS(=O)(=O)O)C(O)C1O |
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| InChI Key | DXXBAOOQYPFDSV-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 | quinic acids and derivatives |
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| Geometric Descriptor | aliphatic homomonocyclic compounds |
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| Alternative Parents | alkyl sulfatesalpha hydroxy acids and derivativesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidscyclohexanolshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidessulfuric acid monoesterstertiary alcohols |
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| Substituents | sulfuric acid monoestercarbonyl groupcarboxylic acidalpha-hydroxy acidcarboxylic acid derivativebeta-hydroxy acidorganic oxidealkyl sulfateorganic sulfuric acid or derivativescyclohexanolhydroxy acidtertiary alcoholmonocarboxylic acid or derivativessecondary alcoholaliphatic homomonocyclic compoundsulfate-esterhydrocarbon derivativesulfuric acid esterquinic acid |
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