| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:03:01 UTC |
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| Update Date | 2025-03-21 18:07:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00069373 |
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| Frequency | 43.5 |
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| Structure | |
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| Chemical Formula | C6H8O9S |
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| Molecular Mass | 255.9889 |
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| SMILES | O=C(O)CC(CC(=O)OS(=O)(=O)O)C(=O)O |
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| InChI Key | QIFDRPPNMKNXNS-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 monoesters |
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| Substituents | aliphatic acyclic compoundsulfuric acid monoestercarbonyl groupcarboxylic acidorganic sulfuric acid or derivativestricarboxylic acid or derivativesorganic oxideorganic oxygen compoundhydrocarbon derivativesulfuric acid esterorganooxygen compound |
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