| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:37:45 UTC |
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| Update Date | 2025-03-21 17:57:48 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00010256 |
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| Frequency | 462.2 |
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| Structure | |
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| Chemical Formula | C6H4Cl2O4S |
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| Molecular Mass | 241.9207 |
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| SMILES | O=S(=O)(O)Oc1cc(Cl)ccc1Cl |
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| InChI Key | AWPQSRQLECEFJX-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 chloridesdichlorobenzeneshydrocarbon derivativesorganic oxidesorganochloridesorganooxygen compoundsphenoxy compoundssulfuric acid monoesters |
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| Substituents | aryl chloridechlorobenzenemonocyclic benzene moietysulfuric acid monoester1,4-dichlorobenzeneorganochlorideorganohalogen compoundaryl halidearomatic homomonocyclic compoundphenylsulfateorganic oxideorganic oxygen compoundsulfate-esterhydrocarbon derivativebenzenoidhalobenzenephenoxy compoundsulfuric acid esterorganooxygen compound |
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