| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:20:56 UTC |
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| Update Date | 2025-03-25 01:01:25 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02249240 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H30NO17S2+ |
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| Molecular Mass | 572.095 |
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| SMILES | COC1C(C(=O)O)OC(OC2C(COS(=O)(=O)O)OC(O)C([N+](C)(C)C)C2O)C(OS(=O)(=O)O)C1O |
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| InChI Key | MRYZKBGDHSBPFT-UHFFFAOYSA-O |
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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 | 1,2-aminoalcoholsacetalsalkyl sulfatesaminesaminosaccharidescarbonyl compoundscarboxylic acidsdialkyl ethersglucuronic acid derivativeshemiacetalshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic cationsorganic oxidesorganic saltsorganopnictogen compoundsoxacyclic compoundsoxanespyran carboxylic acidssecondary alcoholssulfuric acid monoesterstetraalkylammonium salts |
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| Substituents | sulfuric acid monoestercarbonyl groupethercarboxylic acido-glucuronidemonosaccharidecarboxylic acid derivativepyran carboxylic aciddialkyl ether1-o-glucuronideorganic oxideacetalalkyl sulfatealiphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundhemiacetalorganic cationoxaneorganic saltorganoheterocyclic compoundalcoholamino saccharidepyran carboxylic acid or derivativesorganic sulfuric acid or derivativestetraalkylammonium salt1,2-aminoalcoholquaternary ammonium saltoxacyclemonocarboxylic acid or derivativespyransecondary alcoholsulfate-esterhydrocarbon derivativeorganic nitrogen compoundsulfuric acid esteramine |
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