| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:08 UTC |
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| Update Date | 2025-03-25 00:45:49 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02151460 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8HCl3N2O3S |
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| Molecular Mass | 309.8773 |
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| SMILES | N#Cc1c(Cl)c(Cl)c(S(=O)(=O)O)c(Cl)c1C#N |
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| InChI Key | OHZRFKHAWCQZKP-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 | benzenesulfonic acids and derivatives |
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| Direct Parent | benzenesulfonic acids and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | aryl chloridesarylsulfonic acids and derivativesbenzenesulfonyl compoundsbenzonitrileschlorobenzeneshydrocarbon derivativesnitrilesorganic oxidesorganochloridesorganonitrogen compoundsorganopnictogen compoundsorganosulfonic acidssulfonyls |
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| Substituents | organosulfonic acid or derivativesnitrileorganochlorideorganosulfonic acidbenzenesulfonateorganosulfur compoundorganohalogen compoundorganic oxideorganonitrogen compoundorganopnictogen compoundcarbonitrilebenzenesulfonyl grouparyl chloridechlorobenzenebenzonitrilearyl halidearomatic homomonocyclic compoundsulfonylorganic oxygen compoundarylsulfonic acid or derivativesorganic sulfonic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundhalobenzene |
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