| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:15:34 UTC |
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| Update Date | 2025-03-21 18:34:09 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00099446 |
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| Frequency | 27.6 |
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| Structure | |
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| Chemical Formula | C9H16O6S |
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| Molecular Mass | 252.0668 |
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| SMILES | CCC=CCC(O)CCC(=O)OS(=O)(=O)O |
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| InChI Key | YPOSKLISFGFMAM-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 acyclic compounds |
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| Alternative Parents | carbonyl compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidessecondary alcohols |
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| Substituents | alcoholaliphatic acyclic compoundsulfuric acid monoestercarbonyl groupcarboxylic acid derivativeorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganooxygen compound |
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