| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:07:16 UTC |
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| Update Date | 2025-03-21 18:29:49 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00079666 |
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| Frequency | 36.6 |
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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=C(O)C1=C(OS(=O)(=O)O)C(O)C(O)C(O)C1 |
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| InChI Key | GBFFMZYCNRKEGK-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 | shikimic acids and derivatves |
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| Geometric Descriptor | aliphatic homomonocyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidessecondary alcoholssulfuric acid monoesters |
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| Substituents | sulfuric acid monoestercarbonyl groupcarboxylic acidorganic sulfuric acid or derivativescarboxylic acid derivativeshikimic acid or derivativesorganic oxidemonocarboxylic acid or derivativessecondary alcoholaliphatic homomonocyclic compoundsulfate-esterhydrocarbon derivativesulfuric acid ester |
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