| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:49:06 UTC |
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| Update Date | 2025-03-21 18:02:07 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00036392 |
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| Frequency | 124.7 |
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| Structure | |
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| Chemical Formula | C11H13NO5S |
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| Molecular Mass | 271.0514 |
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| SMILES | O=C1CCC(Cc2cccc(OS(=O)(=O)O)c2)N1 |
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| InChI Key | GKTUPPFRBKXQRI-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | organic sulfuric acids and derivatives |
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| Subclass | arylsulfates |
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| Direct Parent | phenylsulfates |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativeslactamsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenoxy compoundspyrrolidine-2-onessecondary carboxylic acid amidessulfuric acid monoesters |
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| Substituents | 2-pyrrolidonemonocyclic benzene moietysulfuric acid monoestercarbonyl grouplactamaromatic heteromonocyclic compoundcarboxylic acid derivativephenylsulfateorganic oxideorganonitrogen compoundorganopnictogen compoundpyrrolidinepyrrolidoneorganoheterocyclic compoundazacyclecarboxamide groupsecondary carboxylic acid amideorganic oxygen compoundsulfate-esterhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundsulfuric acid esterorganooxygen compound |
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