| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:46:41 UTC |
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| Update Date | 2025-03-25 00:48:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02170866 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H14ClNO3S |
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| Molecular Mass | 287.0383 |
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| SMILES | CC(=O)NC(CSCc1ccc(Cl)cc1)C(=O)O |
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| InChI Key | JMFAQCWDNUYCHR-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 | n-acyl-alpha amino acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | acetamidesalpha amino acidsaryl chloridescarbonyl compoundscarboxylic acidschlorobenzenescysteine and derivativesdialkylthioethershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganochloridesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidessulfenyl compounds |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidorganochlorideorganosulfur compoundorganohalogen compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundacetamidearyl chloridechlorobenzenesulfenyl compoundn-acyl-alpha-amino aciddialkylthioethercarboxamide grouparyl halidearomatic homomonocyclic compoundsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundthioethercysteine or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzeneorganooxygen compound |
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