| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:12:08 UTC |
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| Update Date | 2025-03-21 18:32:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00091099 |
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| Frequency | 30.8 |
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| Structure | |
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| Chemical Formula | C11H13NO6S |
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| Molecular Mass | 287.0464 |
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| SMILES | O=C1CCC(Cc2ccc(O)c(OS(=O)(=O)O)c2)N1 |
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| InChI Key | UYHBICXPDBQXKA-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 | 1-hydroxy-2-unsubstituted benzenoidsazacyclic 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 compound1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativephenylsulfateorganic oxideorganonitrogen compoundorganopnictogen compoundpyrrolidinepyrrolidoneorganoheterocyclic compoundazacyclecarboxamide groupsecondary carboxylic acid amideorganic oxygen compoundsulfate-esterphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundsulfuric acid esterorganooxygen compound |
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