| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:04:18 UTC |
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| Update Date | 2025-03-25 00:55:13 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02211262 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H15NO9S |
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| Molecular Mass | 313.0468 |
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| SMILES | CC(=O)NC1OC(C(=O)O)C(C)C(OS(=O)(=O)O)C1O |
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| InChI Key | MVZRSIVVBVMHMN-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-glucuronides |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | acetamidesalkyl sulfatescarbonyl compoundscarboxylic acidshydrocarbon 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 acidmonosaccharidecarboxylic acid derivativepyran carboxylic acidn-glucuronideorganic oxidealkyl sulfatealiphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundoxaneorganoheterocyclic 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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