| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:57:07 UTC |
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| Update Date | 2025-03-25 00:52:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02194604 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C21H38O9S |
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| Molecular Mass | 466.2237 |
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| SMILES | CCCCCCCCCCCCCCCC(=O)OC(=O)CCC(=O)OCOS(=O)(=O)O |
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| InChI Key | IXBUHJJVHFBILE-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 | carboxylic acids and derivatives |
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| Subclass | tricarboxylic acids and derivatives |
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| Direct Parent | tricarboxylic acids and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alkyl sulfatescarbonyl compoundscarboxylic acid anhydridescarboxylic acid estersfatty acid estershydrocarbon derivativesorganic oxidessulfuric acid monoesters |
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| Substituents | fatty acylaliphatic acyclic compoundsulfuric acid monoestercarbonyl grouporganic sulfuric acid or derivativestricarboxylic acid or derivativesfatty acid esterorganic oxideorganic oxygen compoundcarboxylic acid esteralkyl sulfatecarboxylic acid anhydridesulfate-esterhydrocarbon derivativesulfuric acid esterorganooxygen compound |
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