| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:58 UTC |
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| Update Date | 2025-03-25 00:50:46 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02183000 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C6H5ClO6S |
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| Molecular Mass | 239.9495 |
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| SMILES | O=S(=O)(O)Oc1ccc(O)c(Cl)c1O |
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| InChI Key | NXXMPRKKJXQJLR-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 derivativeso-chlorophenolsorganic oxidesorganochloridesorganooxygen compoundsphenoxy compoundsresorcinolssulfuric acid monoesters |
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| Substituents | monocyclic benzene moietysulfuric acid monoesterorganochloride1-hydroxy-2-unsubstituted benzenoidorganohalogen compoundresorcinolphenylsulfateorganic oxidearyl chloride2-chlorophenolchlorobenzene1-hydroxy-4-unsubstituted benzenoidaryl halidearomatic homomonocyclic compound2-halophenolorganic oxygen compoundsulfate-esterphenolhydrocarbon derivativebenzenoidhalobenzenephenoxy compoundsulfuric acid esterorganooxygen compound |
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