| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:21:24 UTC |
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| Update Date | 2025-03-25 01:01:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02250320 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C6H10O7S2 |
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| Molecular Mass | 257.9868 |
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| SMILES | O=C(O)CSCCCC(=O)OS(=O)(=O)O |
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| InChI Key | ITPRHXFWBDSCQQ-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 acidsdialkylthioethersdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidessulfenyl compounds |
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| Substituents | aliphatic acyclic compoundsulfuric acid monoestercarbonyl groupcarboxylic acidsulfenyl compounddialkylthioetherorganosulfur compoundcarboxylic acid derivativeorganic oxideorganic oxygen compoundthioetherdicarboxylic acid or derivativeshydrocarbon derivativeorganooxygen compound |
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