| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:02:51 UTC |
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| Update Date | 2025-03-21 18:07:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00069006 |
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| Frequency | 43.8 |
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| Structure | |
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| Chemical Formula | C6H4Cl2O5S |
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| Molecular Mass | 257.9157 |
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| SMILES | O=S(=O)(O)Oc1c(O)cc(Cl)cc1Cl |
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| InChI Key | XMPKNDJKAGSAFJ-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 chloridesdichlorobenzeneshalophenolshydrocarbon derivativesm-chlorophenolsorganic oxidesorganochloridesorganooxygen compoundsphenoxy compoundssulfuric acid monoesters |
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| Substituents | monocyclic benzene moietysulfuric acid monoesterorganochloride1-hydroxy-2-unsubstituted benzenoidorganohalogen compound1,3-dichlorobenzenephenylsulfateorganic oxidearyl chloridechlorobenzene3-halophenol3-chlorophenol1-hydroxy-4-unsubstituted benzenoidaryl halidearomatic homomonocyclic compoundorganic oxygen compoundsulfate-esterphenolhydrocarbon derivativebenzenoidhalobenzenephenoxy compoundsulfuric acid esterorganooxygen compound |
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