| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:31:17 UTC |
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| Update Date | 2025-03-21 18:41:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00136972 |
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| Frequency | 18.3 |
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| Structure | |
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| Chemical Formula | C12H15NO5S |
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| Molecular Mass | 285.0671 |
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| SMILES | CN1C(=O)CCC1Cc1cccc(OS(=O)(=O)O)c1 |
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| InChI Key | DHUTWWVVNPUJKU-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 derivativeslactamsn-alkylpyrrolidinesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenoxy compoundspyrrolidine-2-onessulfuric acid monoesterstertiary carboxylic acid amides |
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| Substituents | 2-pyrrolidonemonocyclic benzene moietysulfuric acid monoestercarbonyl grouplactamaromatic heteromonocyclic compoundcarboxylic acid derivativephenylsulfateorganic oxidetertiary carboxylic acid amideorganonitrogen compoundorganopnictogen compoundpyrrolidinepyrrolidoneorganoheterocyclic compoundazacyclen-alkylpyrrolidinecarboxamide grouporganic oxygen compoundsulfate-esterhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundsulfuric acid esterorganooxygen compound |
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