| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:07:12 UTC |
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| Update Date | 2025-03-25 00:56:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02217985 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H13NO10S |
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| Molecular Mass | 327.026 |
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| SMILES | CC(=O)NC1C(=O)C(O)=C(OS(=O)(=O)O)C1(O)C(O)CO |
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| InChI Key | ACCDUYQQTZOSOE-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 | acetamidescarboxylic acids and derivativescyclic ketoneshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsprimary alcoholssecondary alcoholssecondary carboxylic acid amidestertiary alcohols |
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| Substituents | alcoholsulfuric acid monoestercarbonyl groupcyclic ketonecarboxamide groupcarboxylic acid derivativeketonesecondary carboxylic acid amidetertiary alcoholorganic oxideorganic oxygen compoundorganonitrogen compoundsecondary alcoholaliphatic homomonocyclic compoundorganopnictogen compoundsulfate-esterhydrocarbon derivativeorganic nitrogen compoundprimary alcoholacetamideorganooxygen compound |
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