| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:47:07 UTC |
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| Update Date | 2025-03-21 18:01:12 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00031634 |
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| Frequency | 116.2 |
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| Structure | |
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| Chemical Formula | C9H15NO9S |
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| Molecular Mass | 313.0468 |
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| SMILES | CC(=O)NC1C(O)CC(O)(C(=O)O)CC1OS(=O)(=O)O |
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| InChI Key | RKURUJJFZKTTDI-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 | quinic acids and derivatives |
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| Geometric Descriptor | aliphatic homomonocyclic compounds |
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| Alternative Parents | acetamidesalkyl sulfatesalpha hydroxy acids and derivativescarbonyl compoundscarboxylic acidscyclohexanolshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidessulfuric acid monoesterstertiary alcohols |
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| Substituents | sulfuric acid monoestercarbonyl groupcarboxylic acidalpha-hydroxy acidcarboxylic acid derivativeorganic oxidealkyl sulfateorganonitrogen compoundorganopnictogen compoundacetamideorganic sulfuric acid or derivativescyclohexanolhydroxy acidcarboxamide groupsecondary carboxylic acid amidetertiary alcoholmonocarboxylic acid or derivativessecondary alcoholaliphatic homomonocyclic compoundsulfate-esterhydrocarbon derivativeorganic nitrogen compoundsulfuric acid esterquinic acid |
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