Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-21 17:17:50 UTC |
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Update Date | 2025-03-25 01:47:36 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID02520469 |
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Frequency | 0.5 |
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Structure | |
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Chemical Formula | C33H55NO45S6 |
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Molecular Mass | 1377.037 |
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SMILES | COC1C(C(=O)O)OC(OC2C(COS(=O)(=O)O)OC(OC3C(O)C(COS(=O)(=O)O)OC(OC4C(COS(=O)(=O)O)OC(OC5C(O)C(O)OC(COS(=O)(=O)O)C5O)C(NC(C)=O)C4O)C3O)C(OS(=O)(=O)O)C2O)C(OS(=O)(=O)O)C1O |
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InChI Key | NQDSVSMBDKKZEF-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 | n-acyl-alpha-hexosamines |
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Geometric Descriptor | aliphatic heteromonocyclic compounds |
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Alternative Parents | acetalsacetamidesalkyl sulfatescarbonyl compoundscarboxylic acidsdialkyl ethersglucuronic acid derivativeshemiacetalshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharideso-glucuronidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanespyran carboxylic acidssecondary alcoholssecondary carboxylic acid amidessulfuric acid monoesters |
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Substituents | sulfuric acid monoestercarbonyl groupethercarboxylic acidglucuronic acid or derivativeso-glucuronidemonosaccharidecarboxylic acid derivativepyran carboxylic aciddialkyl ethern-acyl-alpha-hexosamine1-o-glucuronideorganic oxideacetalalkyl sulfatealiphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundhemiacetaloxaneorganoheterocyclic compoundacetamidealcoholpyran carboxylic acid or derivativesorganic sulfuric acid or derivativescarboxamide groupoxacyclesecondary carboxylic acid amidemonocarboxylic acid or derivativespyransecondary alcoholsulfate-esterhydrocarbon derivativeorganic nitrogen compoundsulfuric acid ester |
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