| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:06:44 UTC |
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| Update Date | 2025-03-25 00:56:13 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02216890 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H13ClN2O4S |
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| Molecular Mass | 304.0285 |
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| SMILES | NC(CSCC(=O)Nc1ccc(Cl)cc1O)C(=O)O |
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| InChI Key | BDOVZAZZYFVXIK-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 acidsanilidesaryl chloridescarbonyl compoundscarboxylic acidschlorobenzenesdialkylthioethershalophenolshydrocarbon derivativesm-chlorophenolsmonoalkylaminesmonocarboxylic acids and derivativesn-arylamidesorganic oxidesorganochloridesorganopnictogen compoundssecondary carboxylic acid amidessulfenyl compounds |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidorganochloride1-hydroxy-2-unsubstituted benzenoidn-arylamideorganosulfur compoundorganohalogen compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundaryl chloridechlorobenzene3-halophenol3-chlorophenolsulfenyl compounddialkylthioether1-hydroxy-4-unsubstituted benzenoidcarboxamide grouparyl halidearomatic homomonocyclic compoundanilidesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundthioethercysteine or derivativesphenolhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundhalobenzeneorganooxygen compound |
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