| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:17:10 UTC |
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| Update Date | 2025-03-25 00:59:59 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02240499 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H16N2O4S |
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| Molecular Mass | 296.0831 |
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| SMILES | NC(CSC1CC(=O)N(c2ccc(O)cc2)C1)C(=O)O |
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| InChI Key | HRZMHZLZUBRESY-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 | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | cysteine and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalpha amino acidsazacyclic compoundsbenzene and substituted derivativescarbonyl compoundscarboxylic acidsdialkylthioethershydrocarbon derivativeslactamsmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenylpyrrolidinespyrrolespyrrolidine-2-onessulfenyl compoundstertiary carboxylic acid amides |
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| Substituents | 2-pyrrolidonemonocyclic benzene moietycarbonyl grouplactamcarboxylic acid1-phenylpyrrolidinearomatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoidorganosulfur compoundorganic oxidetertiary carboxylic acid amideorganonitrogen compoundalpha-amino acidorganopnictogen compoundpyrrolidinepyrrolidoneorganoheterocyclic compoundsulfenyl compoundazacycledialkylthioethercarboxamide groupmonocarboxylic acid or derivativesorganic oxygen compoundthioethercysteine or derivativespyrrolephenolhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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