| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:30 UTC |
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| Update Date | 2025-03-25 00:45:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02152278 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H19NO9S |
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| Molecular Mass | 341.0781 |
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| SMILES | NC(CSC1OC(O)(C(=O)O)CC(O)C1C(O)CO)C(=O)O |
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| InChI Key | WLEZPQQEGPFHCQ-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 | s-glucuronides |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | alpha amino acidsalpha hydroxy acids and derivativescarbonyl compoundscarboxylic acidscysteine and derivativesdicarboxylic acids and derivativeshemiacetalshydrocarbon derivativesmonoalkylaminesmonothioacetalsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesprimary alcoholspyran carboxylic acidssecondary alcoholssulfenyl compounds |
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| Substituents | carbonyl groupcarboxylic acidalpha-hydroxy acidalpha-amino acid or derivativesorganosulfur compoundcarboxylic acid derivativepyran carboxylic acidmonothioacetalorganic oxidealiphatic heteromonocyclic compound1-s-glucuronideorganonitrogen compoundalpha-amino acidorganopnictogen compoundhemiacetaloxaneprimary alcoholorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativessulfenyl compoundhydroxy acidoxacyclepyrancysteine or derivativessecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compound |
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