| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:36:02 UTC |
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| Update Date | 2025-03-21 17:57:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00006192 |
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| Frequency | 839.9 |
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| Structure | |
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| Chemical Formula | C6H5ClO5S |
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| Molecular Mass | 223.9546 |
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| SMILES | O=S(=O)(O)Oc1cc(Cl)ccc1O |
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| InChI Key | KPDBKEAUFDUDTF-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 benzenoidsaryl chlorideschlorobenzeneshalophenolshydrocarbon derivativesorganic oxidesorganochloridesorganooxygen compoundsp-chlorophenolsphenoxy compoundssulfuric acid monoesters |
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| Substituents | monocyclic benzene moietysulfuric acid monoesterorganochloride1-hydroxy-2-unsubstituted benzenoidorganohalogen compoundphenylsulfateorganic oxide4-halophenolaryl chloridechlorobenzene4-chlorophenolaryl halidearomatic homomonocyclic compoundorganic oxygen compoundsulfate-esterphenolhydrocarbon derivativebenzenoidhalobenzenephenoxy compoundsulfuric acid esterorganooxygen compound |
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