| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:37:34 UTC |
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| Update Date | 2025-03-25 00:45:36 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02150126 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H13NO6S |
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| Molecular Mass | 251.0464 |
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| SMILES | CC(=O)NC1C=CCC(O)C1OS(=O)(=O)O |
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| InChI Key | SALUYABSAIQCKM-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 homomonocyclic compounds |
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| Alternative Parents | acetamidesalkyl sulfatescarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary alcoholssecondary carboxylic acid amides |
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| Substituents | alcoholsulfuric acid monoestercarbonyl groupcarboxamide groupcarboxylic acid derivativesecondary carboxylic acid amideorganic oxideorganic oxygen compoundalkyl sulfateorganonitrogen compoundsecondary alcoholaliphatic homomonocyclic compoundorganopnictogen compoundsulfate-esterhydrocarbon derivativeorganic nitrogen compoundacetamideorganooxygen compound |
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