| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:18:15 UTC |
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| Update Date | 2025-03-21 18:35:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00106061 |
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| Frequency | 25.4 |
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| Structure | |
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| Chemical Formula | C6H12O4S |
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| Molecular Mass | 180.0456 |
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| SMILES | CCC=CCCOS(=O)(=O)O |
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| InChI Key | MYONIAZVXUKFDZ-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 | organic sulfuric acids and derivatives |
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| Subclass | sulfuric acid esters |
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| Direct Parent | sulfuric acid monoesters |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alkyl sulfateshydrocarbon derivativesorganic oxidesorganooxygen compounds |
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| Substituents | aliphatic acyclic compoundsulfuric acid monoesterorganic oxideorganic oxygen compoundalkyl sulfatesulfate-esterhydrocarbon derivativeorganooxygen compound |
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