| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:43 UTC |
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| Update Date | 2025-03-25 00:50:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02182426 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C6H9NO11S |
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| Molecular Mass | 302.9896 |
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| SMILES | O=NOC1C(OS(=O)(=O)O)OC(C(=O)O)C(O)C1O |
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| InChI Key | LEPNGTQZFLQFQQ-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 | carbohydrates and carbohydrate conjugates |
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| Direct Parent | glucuronic acid derivatives |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | 1,2-diolsalkyl nitritesalkyl sulfatesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesnitrite estersorganic o-nitroso compoundsorganic nitrogen compoundsorganic oxidesoxacyclic compoundsoxanespyran carboxylic acidssecondary alcoholssulfuric acid monoesters |
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| Substituents | sulfuric acid monoestercarbonyl groupcarboxylic acidglucuronic acid or derivativesmonosaccharidecarboxylic acid derivativepyran carboxylic acidalkyl nitritebeta-hydroxy acidorganic oxidealkyl sulfatealiphatic heteromonocyclic compoundnitrite esteroxaneorganoheterocyclic compound1,2-diolalcoholorganic nitroso compoundpyran carboxylic acid or derivativesorganic sulfuric acid or derivativeshydroxy acidorganic nitriteoxacyclemonocarboxylic acid or derivativespyransecondary alcoholsulfate-esterhydrocarbon derivativeorganic nitrogen compoundsulfuric acid esterorganic o-nitroso compound |
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