| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:07:14 UTC |
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| Update Date | 2025-03-25 00:56:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02218066 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H3Cl2NO4S |
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| Molecular Mass | 266.916 |
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| SMILES | N#Cc1c(O)c(Cl)cc(S(=O)(=O)O)c1Cl |
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| InChI Key | LLLIBPYYYLHOHY-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 | 1-sulfo,2-unsubstituted aromatic compoundsaryl chloridesarylsulfonic acids and derivativesbenzenesulfonyl compoundsbenzonitrilesdichlorobenzeneshalophenolshydrocarbon derivativesm-chlorophenolsnitrileso-chlorophenolsorganic oxidesorganochloridesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsorganosulfonic acidssulfonyls |
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| Substituents | organosulfonic acid or derivativesnitrileorganochlorideorganosulfonic acidbenzenesulfonateorganosulfur compoundorganohalogen compoundorganic oxideorganonitrogen compoundorganopnictogen compoundcarbonitrilebenzenesulfonyl grouparyl chloride2-chlorophenolchlorobenzene3-halophenol3-chlorophenol1,4-dichlorobenzene1-sulfo,2-unsubstituted aromatic compoundbenzonitrilearyl halidearomatic homomonocyclic compound2-halophenolsulfonylorganic oxygen compoundarylsulfonic acid or derivativesorganic sulfonic acid or derivativesphenolhydrocarbon derivativeorganic nitrogen compoundhalobenzeneorganooxygen compound |
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