| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:08:46 UTC |
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| Update Date | 2025-03-25 00:56:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02221623 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H14O10S |
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| Molecular Mass | 314.0308 |
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| SMILES | O=C(O)CC(O)(CCCC(=O)OS(=O)(=O)O)CC(=O)O |
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| InChI Key | RGZKVHTZAUILIH-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 | carbonyl compoundscarboxylic acidshydrocarbon derivativesorganic oxidessulfuric acid monoesterstertiary alcohols |
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| Substituents | alcoholaliphatic acyclic compoundsulfuric acid monoestercarbonyl groupcarboxylic acidorganic sulfuric acid or derivativestricarboxylic acid or derivativestertiary alcoholorganic oxideorganic oxygen compoundhydrocarbon derivativesulfuric acid esterorganooxygen compound |
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