| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:50 UTC |
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| Update Date | 2025-03-25 00:53:58 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02203140 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H9NO7S |
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| Molecular Mass | 287.01 |
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| SMILES | O=C1CC(c2ccc(O)c(OS(=O)(=O)O)c2)C(=O)N1 |
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| InChI Key | RXQJSGLNNMPMQP-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | pyrrolidines |
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| Subclass | phenylpyrrolidines |
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| Direct Parent | phenylpyrrolidines |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsazacyclic compoundscarbonyl compoundscarboxylic acids and derivativesdicarboximideshydrocarbon derivativesn-unsubstituted carboxylic acid imidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenoxy compoundsphenylsulfatespyrrolespyrrolidine-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 compoundarylsulfatedicarboximidepyrrolidoneorganic sulfuric acid or derivativesazacyclecarboxylic acid imide3-phenylpyrrolidineorganic oxygen compoundpyrrolesulfate-esterphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundsulfuric acid esterorganooxygen compound |
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