| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:37:08 UTC |
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| Update Date | 2025-03-21 17:57:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00008794 |
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| Frequency | 553.9 |
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| Structure | |
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| Chemical Formula | C12H21NO21S3 |
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| Molecular Mass | 610.9768 |
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| SMILES | O=C(O)C1OC(OC2C(COS(=O)(=O)O)OC(O)C(NOS(=O)(=O)O)C2O)C(OS(=O)(=O)O)C(O)C1O |
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| InChI Key | BQTXDMLXUKSKJX-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 acidsglucuronic acid derivativeshemiacetalshydrocarbon derivativesmonocarboxylic acids and 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 compoundhemiacetaloxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativesorganic sulfuric acid or derivativeshydroxy acidoxacyclemonocarboxylic acid or derivativespyransecondary alcoholsulfate-esterhydrocarbon derivativeorganic nitrogen compoundsulfuric acid ester |
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