| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:38:22 UTC |
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| Update Date | 2025-03-21 17:58:01 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00011695 |
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| Frequency | 393.6 |
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| Structure | |
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| Chemical Formula | C13H23NO21S3 |
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| Molecular Mass | 624.9925 |
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| SMILES | COC1C(C(=O)O)OC(OC2C(COS(=O)(=O)O)OC(O)C(NOS(=O)(=O)O)C2O)C(OS(=O)(=O)O)C1O |
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| InChI Key | QHCZXWLUCZEFPS-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 sulfatescarbonyl compoundscarboxylic acidsdialkyl ethersglucuronic acid derivativeshemiacetalshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanespyran carboxylic acidssecondary alcoholssulfuric acid monoesters |
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| Substituents | sulfuric acid monoestercarbonyl groupethercarboxylic acido-glucuronidemonosaccharidecarboxylic acid derivativepyran carboxylic aciddialkyl ether1-o-glucuronideorganic oxideacetalalkyl sulfatealiphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundhemiacetaloxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativesorganic sulfuric acid or derivativesoxacyclemonocarboxylic acid or derivativespyransecondary alcoholsulfate-esterhydrocarbon derivativeorganic nitrogen compoundsulfuric acid ester |
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