| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:35:36 UTC |
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| Update Date | 2025-03-21 17:57:02 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00005221 |
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| Frequency | 1034.2 |
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| Structure | |
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| Chemical Formula | C5H8O7S |
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| Molecular Mass | 211.9991 |
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| SMILES | O=C(O)CCCC(=O)OS(=O)(=O)O |
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| InChI Key | IWISZCJLQGZQBW-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 | carbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesfatty acids and conjugateshydrocarbon derivativesorganic oxides |
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| Substituents | aliphatic acyclic compoundsulfuric acid monoestercarbonyl groupcarboxylic acidfatty acidcarboxylic acid derivativeorganic oxideorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativeorganooxygen compound |
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