| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:08:26 UTC |
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| Update Date | 2025-03-25 00:56:48 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02220896 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C6H8O7S |
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| Molecular Mass | 223.9991 |
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| SMILES | O=C1CCC(O)C(OS(=O)(=O)O)C1=O |
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| InChI Key | SAMQNHMEMABASX-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 sulfatescyclic alcohols and derivativescyclic ketoneshydrocarbon derivativesorganic oxidessecondary alcohols |
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| Substituents | alcoholsulfuric acid monoestercarbonyl groupcyclic ketonecyclic alcoholketoneorganic oxideorganic oxygen compoundalkyl sulfatesecondary alcoholaliphatic homomonocyclic compoundsulfate-esterhydrocarbon derivativeorganooxygen compound |
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