| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:54:18 UTC |
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| Update Date | 2025-03-21 18:04:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00048865 |
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| Frequency | 67.7 |
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| Structure | |
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| Chemical Formula | C14H28O6S |
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| Molecular Mass | 324.1607 |
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| SMILES | CCCCCCCCCCCC(O)CC(=O)OS(=O)(=O)O |
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| InChI Key | CJTMMNLPDLYVAT-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 | carbonyl compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidessecondary alcoholssulfuric acid monoesters |
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| Substituents | alcoholaliphatic acyclic compoundsulfuric acid monoestercarbonyl grouporganic sulfuric acid or derivativescarboxylic acid derivativebeta-hydroxy acidorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativesulfuric acid esterorganooxygen compound |
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