| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:43:22 UTC |
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| Update Date | 2025-03-25 00:47:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02163278 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H8O7S |
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| Molecular Mass | 235.9991 |
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| SMILES | O=C(O)C1=C(OS(=O)(=O)O)C(=O)CCC1 |
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| InChI Key | CBEKHDJIYJEMSB-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 | carbonyl compounds |
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| Direct Parent | cyclohexenones |
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| Geometric Descriptor | aliphatic homomonocyclic compounds |
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| Alternative Parents | carboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidessulfuric acid monoesters |
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| Substituents | cyclohexenonesulfuric acid monoestercarboxylic acidorganic sulfuric acid or derivativescarboxylic acid derivativeorganic oxidemonocarboxylic acid or derivativesaliphatic homomonocyclic compoundsulfate-esterhydrocarbon derivativesulfuric acid ester |
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