| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:57:44 UTC |
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| Update Date | 2025-03-21 18:05:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00056785 |
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| Frequency | 56.0 |
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| Structure | |
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| Chemical Formula | C9H15NO8S |
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| Molecular Mass | 297.0518 |
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| SMILES | NC(CSC1OC(C(=O)O)C(O)C(O)C1O)C(=O)O |
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| InChI Key | YXSDQKWDYZXGJZ-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 acidsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidscysteine and derivativesdicarboxylic acids and derivativesglucuronic acid derivativeshydrocarbon derivativesmonoalkylaminesmonosaccharidesmonothioacetalsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanespyran carboxylic acidssecondary alcoholssulfenyl compounds |
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| Substituents | carbonyl groups-glucuronidecarboxylic acidmonosaccharidealpha-amino acid or derivativesorganosulfur compoundcarboxylic acid derivativepyran carboxylic acidmonothioacetalbeta-hydroxy acidorganic oxidealiphatic heteromonocyclic compound1-s-glucuronideorganonitrogen compoundalpha-amino acidorganopnictogen compoundoxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativessulfenyl compoundhydroxy acidoxacyclepyrancysteine or derivativessecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compound |
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