| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:16:54 UTC |
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| Update Date | 2025-03-25 00:59:53 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02239860 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H10ClNO6S |
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| Molecular Mass | 282.9917 |
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| SMILES | NCCc1cc(O)c(OS(=O)(=O)O)c(O)c1Cl |
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| InChI Key | ADLYKRHIYXPGCO-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | organic sulfuric acids and derivatives |
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| Subclass | arylsulfates |
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| Direct Parent | phenylsulfates |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsaryl chlorideschlorobenzeneshalophenolshydrocarbon derivativesmonoalkylamineso-chlorophenolsorganic oxidesorganochloridesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsp-chlorophenolsphenoxy compoundsresorcinolssulfuric acid monoesters |
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| Substituents | monocyclic benzene moietysulfuric acid monoesterorganochloride1-hydroxy-2-unsubstituted benzenoidorganohalogen compoundresorcinolphenylsulfateorganic oxide4-halophenolorganonitrogen compoundorganopnictogen compoundaryl chloride2-chlorophenolchlorobenzene4-chlorophenol1-hydroxy-4-unsubstituted benzenoidaryl halidearomatic homomonocyclic compound2-halophenolorganic oxygen compoundsulfate-esterphenolhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundhalobenzenephenoxy compoundsulfuric acid esterorganooxygen compound |
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