| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:27 UTC |
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| Update Date | 2025-03-25 00:50:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02181825 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H8ClNO3S2 |
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| Molecular Mass | 288.9634 |
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| SMILES | O=C(O)C(=O)CSC(=S)Nc1ccc(Cl)cc1 |
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| InChI Key | UMBRPKPJLUYIMO-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 | halobenzenes |
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| Direct Parent | chlorobenzenes |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha-hydroxy ketonesalpha-keto acids and derivativesaryl chloridescarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganochloridesorganonitrogen compoundsorganopnictogen compoundssulfenyl compounds |
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| Substituents | carbonyl groupcarboxylic acidorganochlorideorganosulfur compoundalpha-hydroxy ketonecarboxylic acid derivativeorganohalogen compoundketoneorganic oxideorganonitrogen compoundalpha-keto acidorganopnictogen compoundaryl chloridechlorobenzenesulfenyl compoundaryl halidearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundketo acidhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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