| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:46 UTC |
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| Update Date | 2025-03-25 00:53:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02202997 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H11NO7S |
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| Molecular Mass | 301.0256 |
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| SMILES | O=C1CC(Cc2ccc(OS(=O)(=O)O)c(O)c2)C(=O)N1 |
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| InChI Key | HVYASIUNBODKJF-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 benzenoids1-hydroxy-4-unsubstituted benzenoidsazacyclic compoundscarbonyl compoundscarboxylic acids and derivativesdicarboximideshydrocarbon derivativesn-unsubstituted carboxylic acid imidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenoxy compoundspyrrolidine-2-onessulfuric acid monoesters |
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| Substituents | 2-pyrrolidonemonocyclic benzene moietysulfuric acid monoestercarbonyl grouparomatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativephenylsulfatecarboxylic acid imide, n-unsubstitutedorganic oxideorganonitrogen compoundorganopnictogen compounddicarboximidepyrrolidinepyrrolidoneorganoheterocyclic compoundazacycle1-hydroxy-4-unsubstituted benzenoidcarboxylic acid imideorganic oxygen compoundsulfate-esterphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundsulfuric acid esterorganooxygen compound |
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