| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:59:20 UTC |
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| Update Date | 2025-03-21 18:06:02 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00060594 |
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| Frequency | 51.6 |
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| Structure | |
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| Chemical Formula | C12H19NO19S2 |
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| Molecular Mass | 544.9993 |
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| SMILES | O=C(O)C1OC(OC2C(C(=O)O)OC(O)C(NOS(=O)(=O)O)C2O)C(OS(=O)(=O)O)C(O)C1O |
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| InChI Key | QEPQDPYQDAMGIG-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 | o-glucuronides |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | acetalsalkyl sulfatesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdelta amino acids and derivativesdicarboxylic acids and derivativesglucuronic acid derivativeshemiacetalshydrocarbon derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanespyran carboxylic acidssecondary alcoholssulfuric acid monoesters |
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| Substituents | sulfuric acid monoestercarbonyl groupcarboxylic acido-glucuronidemonosaccharidecarboxylic acid derivativepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidorganic oxideacetalalkyl sulfatealiphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundhemiacetaldelta amino acid or derivativesoxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativesorganic sulfuric acid or derivativeshydroxy acidoxacyclepyransecondary alcoholdicarboxylic acid or derivativessulfate-esterhydrocarbon derivativeorganic nitrogen compoundsulfuric acid ester |
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