| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:01:42 UTC |
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| Update Date | 2025-03-25 00:54:15 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02205138 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H15NO10S |
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| Molecular Mass | 317.0417 |
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| SMILES | NC1C(OS(=O)(=O)O)CC(O)(C(=O)O)OC1C(O)CO |
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| InChI Key | PHPREFSXMOLXON-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 | c-glucuronides |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | 1,2-diolsalkyl sulfatesalpha hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdelta amino acids and derivativeshemiacetalshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesprimary alcoholspyran carboxylic acidssecondary alcoholssulfuric acid monoesters |
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| Substituents | sulfuric acid monoestercarbonyl groupcarboxylic acidalpha-hydroxy acidcarboxylic acid derivativepyran carboxylic acidorganic oxidealkyl sulfatealiphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundhemiacetaldelta amino acid or derivativesoxaneprimary alcoholorganoheterocyclic compound1,2-diolc-glucuronidealcoholpyran carboxylic acid or derivativesorganic sulfuric acid or derivativeshydroxy acidoxacyclemonocarboxylic acid or derivativespyransecondary alcoholsulfate-esterhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundsulfuric acid ester |
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