| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:23:13 UTC |
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| Update Date | 2025-03-25 01:02:12 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02254384 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H14O6S |
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| Molecular Mass | 226.0511 |
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| SMILES | CC(C)(O)CCCC(=O)OS(=O)(=O)O |
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| InChI Key | NLEDXCXXJJGNLJ-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 oxidestertiary alcohols |
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| Substituents | alcoholaliphatic acyclic compoundsulfuric acid monoestercarbonyl groupcarboxylic acid derivativetertiary alcoholorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganooxygen compound |
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