| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:23:20 UTC |
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| Update Date | 2025-03-21 18:38:00 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00118451 |
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| Frequency | 22.1 |
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| Structure | |
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| Chemical Formula | C15H30O7S |
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| Molecular Mass | 354.1712 |
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| SMILES | CCCCCCCCCCCC(O)CC(=O)OCOS(=O)(=O)O |
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| InChI Key | NCYXSWIFRHWRJU-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 | hydroxy acids and derivatives |
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| Subclass | beta hydroxy acids and derivatives |
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| Direct Parent | beta hydroxy acids and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alkyl sulfatescarbonyl compoundscarboxylic acid estersfatty acid estershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidessecondary alcoholssulfuric acid monoesters |
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| Substituents | alcoholfatty acylaliphatic acyclic compoundsulfuric acid monoestercarbonyl grouporganic sulfuric acid or derivativescarboxylic acid derivativefatty acid esterbeta-hydroxy acidorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esteralkyl sulfatesecondary alcoholsulfate-esterhydrocarbon derivativesulfuric acid esterorganooxygen compound |
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