| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:24:34 UTC |
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| Update Date | 2025-03-21 18:38:32 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00121342 |
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| Frequency | 21.4 |
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| Structure | |
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| Chemical Formula | C11H17NO10S |
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| Molecular Mass | 355.0573 |
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| SMILES | NC(CSC1OC(O)(C(=O)O)CC(O)C1(O)CC(=O)O)C(=O)O |
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| InChI Key | LFSBVWASAGSSGL-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 | 1,2-diolsalpha amino acidsalpha hydroxy acids and derivativescarbonyl compoundscarboxylic acidscysteine and derivativesfatty acylshemiacetalshydrocarbon derivativeshydroxy fatty acidsmonoalkylaminesmonothioacetalsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanespyran carboxylic acidssecondary alcoholssulfenyl compoundstertiary alcoholsthia fatty acidstricarboxylic acids and derivatives |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidalpha-hydroxy acidtricarboxylic acid or derivativesalpha-amino acid or derivativesorganosulfur compoundcarboxylic acid derivativepyran carboxylic acidmonothioacetalorganic oxidealiphatic heteromonocyclic compound1-s-glucuronideorganonitrogen compoundalpha-amino acidorganopnictogen compoundhemiacetalhydroxy fatty acidoxaneorganoheterocyclic compound1,2-diolalcoholpyran carboxylic acid or derivativessulfenyl compoundhydroxy acidoxacycletertiary alcoholthia fatty acidpyrancysteine or derivativessecondary alcoholhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compound |
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