| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 04:53:34 UTC |
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| Update Date | 2025-03-24 14:05:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00755193 |
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| Frequency | 2.0 |
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| Structure | |
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| Chemical Formula | C19H33NO31S5 |
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| Molecular Mass | 930.964 |
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| SMILES | COC1C(C(=O)O)OC(OC2C(COS(=O)(=O)O)OC(OC3C(COS(=O)(=O)O)OC(O)C(NS(=O)(=O)O)C3O)OC2COS(=O)(=O)O)C(OS(=O)(=O)O)C1O |
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| InChI Key | UMWWKIUOVBSYPW-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 | 1,3-dioxanesacetalsalkyl sulfatescarbonyl compoundscarboxylic acid orthoesterscarboxylic acidsdialkyl ethersglucuronic acid derivativeshemiacetalshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsortho estersoxacyclic compoundsoxanespyran carboxylic acidssecondary alcoholssulfuric acid monoamidessulfuric acid monoesters |
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| Substituents | sulfuric acid monoestercarbonyl groupethercarboxylic acidortho estero-glucuronidemonosaccharidecarboxylic acid orthoestercarboxylic acid derivativepyran carboxylic aciddialkyl ether1-o-glucuronideorganic oxideacetalalkyl sulfatealiphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundhemiacetalorthocarboxylic acid derivativeoxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativesorganic sulfuric acid or derivativesoxacyclemonocarboxylic acid or derivativespyransulfuric acid monoamidesecondary alcoholsulfate-esterhydrocarbon derivativeorganic nitrogen compoundsulfuric acid estermeta-dioxane |
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