| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:57:06 UTC |
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| Update Date | 2025-03-25 00:52:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02194566 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H36O6S |
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| Molecular Mass | 380.2233 |
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| SMILES | CCCCCCCCCCCCCCCC(O)CC(=O)OS(=O)(=O)O |
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| InChI Key | NQTPSMKNEIPQPH-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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