| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:43 UTC |
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| Update Date | 2025-03-25 00:51:04 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02184641 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H15NO8S2 |
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| Molecular Mass | 353.0239 |
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| SMILES | NC(CSCC(O)c1ccc(OS(=O)(=O)O)c(O)c1)C(=O)O |
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| InChI Key | QNFABPDHRWPIQJ-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 homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalpha amino acidsaromatic alcoholscarbonyl compoundscarboxylic acidsdialkylthioethershydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenoxy compoundsphenylsulfatessecondary alcoholssulfenyl compoundssulfuric acid monoesters |
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| Substituents | aromatic alcoholmonocyclic benzene moietysulfuric acid monoestercarbonyl groupcarboxylic acid1-hydroxy-2-unsubstituted benzenoidorganosulfur compoundphenylsulfateorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundarylsulfatealcoholorganic sulfuric acid or derivativessulfenyl compounddialkylthioether1-hydroxy-4-unsubstituted benzenoidaromatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundthioethercysteine or derivativessecondary alcoholsulfate-esterphenolhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundphenoxy compoundsulfuric acid esterorganooxygen compound |
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