| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:46:54 UTC |
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| Update Date | 2025-03-25 00:49:00 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02171343 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C21H35NO20S |
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| Molecular Mass | 653.1473 |
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| SMILES | COC1C(C(=O)O)OC(OC2C(O)C(COS(=O)(=O)O)OC(O)C2NC(C)=O)C(O)C1OC1OC(CO)C(O)C(O)C1O |
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| InChI Key | LULOYJVQBCLPPG-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 | acylaminosugars |
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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 derivativesmonosaccharidesn-acyl-alpha-hexosamineso-glucuronidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesprimary alcoholspyran 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 compoundhemiacetaloxaneprimary alcoholorganoheterocyclic compoundacetamidealcoholpyran carboxylic acid or derivativesorganic sulfuric acid or derivativescarboxamide groupacylaminosugaroxacyclesecondary carboxylic acid amidemonocarboxylic acid or derivativespyransecondary alcoholsulfate-esterhydrocarbon derivativeorganic nitrogen compoundsulfuric acid ester |
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