| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:22 UTC |
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| Update Date | 2025-03-25 00:46:41 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02156629 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H12N2O6S |
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| Molecular Mass | 324.0416 |
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| SMILES | O=C1CC(Cc2c[nH]c3ccc(OS(=O)(=O)O)cc23)C(=O)N1 |
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| InChI Key | UAYMBNJKFVCUSB-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 | arylsulfates |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acids and derivativesdicarboximidesheteroaromatic compoundshydrocarbon derivativesindolesn-unsubstituted carboxylic acid imidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolespyrrolidine-2-onessulfuric acid monoesters |
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| Substituents | 2-pyrrolidonesulfuric acid monoestercarbonyl groupindolecarboxylic acid derivativecarboxylic acid imide, n-unsubstitutedorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundarylsulfatedicarboximidepyrrolidinepyrrolidoneorganoheterocyclic compoundazacycleheteroaromatic compoundindole or derivativescarboxylic acid imideorganic oxygen compoundpyrrolesulfate-esterhydrocarbon derivativebenzenoidorganic nitrogen compoundsulfuric acid esterorganooxygen compound |
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