| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:08:42 UTC |
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| Update Date | 2025-03-21 18:30:42 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00083053 |
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| Frequency | 34.7 |
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| Structure | |
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| Chemical Formula | C8H13NO10S |
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| Molecular Mass | 315.026 |
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| SMILES | CC(=O)NC1C(O)C(OS(=O)(=O)O)OC(C(=O)O)C1O |
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| InChI Key | JRCDIVJIBUGELG-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 | acetamidesalkyl sulfatesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsgamma amino acids and derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanespyran carboxylic acidssecondary alcoholssecondary carboxylic acid amidessulfuric acid monoesters |
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| Substituents | sulfuric acid monoestercarbonyl groupcarboxylic acidglucuronic acid or derivativesgamma amino acid or derivativesmonosaccharidecarboxylic acid derivativepyran carboxylic acidbeta-hydroxy acidorganic oxidealkyl sulfatealiphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundoxaneorganoheterocyclic compoundacetamidealcoholpyran carboxylic acid or derivativesorganic sulfuric acid or derivativeshydroxy acidcarboxamide groupoxacyclesecondary carboxylic acid amidemonocarboxylic acid or derivativespyransecondary alcoholsulfate-esterhydrocarbon derivativeorganic nitrogen compoundsulfuric acid ester |
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