| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:16:05 UTC |
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| Update Date | 2025-03-21 18:34:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00100684 |
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| Frequency | 27.2 |
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| Structure | |
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| Chemical Formula | C8H13NO9S |
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| Molecular Mass | 299.0311 |
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| SMILES | CC(=O)NC1C(O)C(=O)OC(COS(=O)(=O)O)C1O |
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| InChI Key | GQDCBCUPIKRROJ-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 | gluconolactones |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | acetamidesalkyl sulfatescarbonyl compoundscarboxylic acid estersdelta valerolactoneshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanessecondary alcoholssecondary carboxylic acid amidessulfuric acid monoesters |
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| Substituents | sulfuric acid monoestercarbonyl groupdelta valerolactonecarboxylic acid derivativelactoneorganic oxidegluconolactonealkyl sulfatealiphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundoxanedelta_valerolactoneorganoheterocyclic compoundacetamidealcoholorganic sulfuric acid or derivativescarboxamide groupoxacyclesecondary carboxylic acid amidemonocarboxylic acid or derivativescarboxylic acid estersecondary alcoholsulfate-esterhydrocarbon derivativeorganic nitrogen compoundsulfuric acid ester |
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