| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:55:46 UTC |
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| Update Date | 2025-03-25 00:52:07 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02191595 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H17NO12S2 |
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| Molecular Mass | 395.0192 |
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| SMILES | CC(=O)NC1C(O)C(O)C(COS(=O)(=O)O)C(O)C1OS(=O)(=O)O |
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| InChI Key | XGYLSOSXSPRMMQ-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | alcohols and polyols |
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| Direct Parent | cyclohexanols |
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| Geometric Descriptor | aliphatic homomonocyclic compounds |
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| Alternative Parents | acetamidesalkyl sulfatescarbonyl compoundscarboxylic acids and derivativescyclitols and derivativeshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidessulfuric acid monoesters |
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| Substituents | sulfuric acid monoestercarbonyl grouporganic sulfuric acid or derivativescyclohexanolcyclitol or derivativescyclic alcoholcarboxamide groupcarboxylic acid derivativesecondary carboxylic acid amideorganic oxidealkyl sulfateorganonitrogen compoundaliphatic homomonocyclic compoundorganopnictogen compoundsulfate-esterhydrocarbon derivativeorganic nitrogen compoundsulfuric acid esteracetamide |
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