| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:05 UTC |
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| Update Date | 2025-03-25 00:46:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02153709 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H6ClNO3S |
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| Molecular Mass | 230.9757 |
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| SMILES | CS(=O)(=O)c1ccc(O)c(C#N)c1Cl |
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| InChI Key | LRKZAXWGCOWYMC-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 | benzenesulfonyl compounds |
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| Direct Parent | benzenesulfonyl compounds |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsaryl chloridesbenzonitrileschlorobenzeneshalophenolshydrocarbon derivativesm-chlorophenolsnitrilesorganic oxidesorganochloridesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundssulfones |
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| Substituents | nitrileorganochloride1-hydroxy-2-unsubstituted benzenoidorganosulfur compoundorganohalogen compoundorganic oxideorganonitrogen compoundorganopnictogen compoundcarbonitrilebenzenesulfonyl grouparyl chloridechlorobenzene3-halophenol3-chlorophenolbenzonitrilearyl halidearomatic homomonocyclic compoundsulfonylorganic oxygen compoundphenolhydrocarbon derivativeorganic nitrogen compoundhalobenzeneorganooxygen compoundsulfone |
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