| Record Information |
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| HMDB Status | predicted |
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| Creation Date | 2024-02-21 00:04:00 UTC |
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| Update Date | 2025-03-21 18:28:25 UTC |
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| HMDB ID | HMDB0130164 |
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| Metabolite Identification |
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| DeepMet ID | DMID00071726 |
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| Name | 4,5-dihydroxy-3-(sulfooxy)cyclohex-1-ene-1-carboxylic acid |
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| Frequency | 41.8 |
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| Structure | |
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| Chemical Formula | C7H10O8S |
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| Molecular Mass | 254.0096 |
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| SMILES | O=C(O)C1=CC(OS(=O)(=O)O)C(O)C(O)C1 |
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| InChI Key | OPFOFYBCAALYMM-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 | 1,2-diolsalkyl sulfatescarbonyl compoundscarboxylic acidscyclitols and derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidessecondary alcohols |
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| Substituents | alcoholsulfuric acid monoestercarbonyl groupcarboxylic acidcyclitol or derivativescarboxylic acid derivativeorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundalkyl sulfatesecondary alcoholaliphatic homomonocyclic compoundsulfate-esterhydrocarbon derivativeorganooxygen compound1,2-diol |
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