| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 12:36:44 UTC |
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| Update Date | 2025-03-24 21:42:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01864732 |
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| Frequency | 0.7 |
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| Structure | |
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| Chemical Formula | C20H36N2O32S5 |
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| Molecular Mass | 975.9855 |
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| SMILES | COC1OC(COS(=O)(=O)O)C(OC2OC(COS(=O)(=O)O)C(O)C(OC3OC(C(=O)O)C(OC)C(NOS(=O)(=O)O)C3O)C2OS(=O)(=O)O)C(O)C1NOS(=O)(=O)O |
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| InChI Key | NIVKHCIFIBZACS-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 | glucuronic acid derivatives |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | acetalsalkyl sulfatescarbonyl compoundscarboxylic acidsdialkyl ethersgamma amino acids and derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanespyran carboxylic acidssecondary alcoholssulfuric acid monoesters |
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| Substituents | sulfuric acid monoestercarbonyl groupethercarboxylic acidglucuronic acid or derivativesgamma amino acid or derivativesmonosaccharidecarboxylic acid derivativepyran carboxylic aciddialkyl etherorganic oxideacetalalkyl sulfatealiphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundoxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativesorganic sulfuric acid or derivativesoxacyclemonocarboxylic acid or derivativespyransecondary alcoholsulfate-esterhydrocarbon derivativeorganic nitrogen compoundsulfuric acid ester |
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