| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:02:24 UTC |
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| Update Date | 2025-03-25 00:54:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02206711 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H12ClNO4S |
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| Molecular Mass | 301.0176 |
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| SMILES | O=C(CSCCC(=O)C(=O)O)Nc1ccc(Cl)cc1 |
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| InChI Key | BLHOQWZCAOPQFN-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | anilides |
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| Direct Parent | anilides |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha-hydroxy ketonesalpha-keto acids and derivativesaryl chloridescarboxylic acidschlorobenzenesdialkylthioethersfatty acylshydrocarbon derivativesmonocarboxylic acids and derivativesn-arylamidesorganic oxidesorganochloridesorganopnictogen compoundssecondary carboxylic acid amidessulfenyl compoundsthia fatty acids |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidorganochloriden-arylamideorganosulfur compoundalpha-hydroxy ketonecarboxylic acid derivativeorganohalogen compoundketoneorganic oxideorganonitrogen compoundalpha-keto acidorganopnictogen compoundaryl chloridechlorobenzenesulfenyl compounddialkylthioethercarboxamide grouparyl halidearomatic homomonocyclic compoundanilidesecondary carboxylic acid amidemonocarboxylic acid or derivativesthia fatty acidorganic oxygen compoundthioetherketo acidhydrocarbon derivativeorganic nitrogen compoundhalobenzeneorganooxygen compound |
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