| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:43:20 UTC |
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| Update Date | 2025-03-21 17:59:42 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00022774 |
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| Frequency | 173.7 |
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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)Oc1cc(Cl)cc(Cl)c1O |
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| InChI Key | CJMGCZSODDQOMP-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 | aryl chloridesdichlorobenzeneshalophenolshydrocarbon derivativeso-chlorophenolsorganic oxidesorganochloridesorganooxygen compoundsp-chlorophenolsphenoxy compoundssulfuric acid monoesters |
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| Substituents | monocyclic benzene moietysulfuric acid monoesterorganochlorideorganohalogen compound1,3-dichlorobenzenephenylsulfateorganic oxide4-halophenolaryl chloride2-chlorophenolchlorobenzene4-chlorophenolaryl halidearomatic homomonocyclic compound2-halophenolorganic oxygen compoundsulfate-esterphenolhydrocarbon derivativebenzenoidhalobenzenephenoxy compoundsulfuric acid esterorganooxygen compound |
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