| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:58:51 UTC |
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| Update Date | 2025-03-25 00:53:13 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02198603 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C6H4Cl2O7S2 |
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| Molecular Mass | 321.8776 |
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| SMILES | O=S(=O)(O)Oc1c(Cl)cc(Cl)cc1S(=O)(=O)O |
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| InChI Key | BYMIFFAEGYZLQR-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-sulfo,2-unsubstituted aromatic compoundsaryl chloridesarylsulfonic acids and derivativesbenzenesulfonic acids and derivativesbenzenesulfonyl compoundsdichlorobenzeneshydrocarbon derivativesorganic oxidesorganochloridesorganooxygen compoundsorganosulfonic acidsphenoxy compoundssulfonylssulfuric acid monoesters |
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| Substituents | organosulfonic acid or derivativesmonocyclic benzene moietysulfuric acid monoesterorganochlorideorganosulfonic acidbenzenesulfonateorganosulfur compoundorganohalogen compound1,3-dichlorobenzenephenylsulfateorganic oxidebenzenesulfonyl grouparyl chloridechlorobenzene1-sulfo,2-unsubstituted aromatic compoundaryl halidearomatic homomonocyclic compoundsulfonylarylsulfonic acid or derivativesorganic oxygen compoundorganic sulfonic acid or derivativessulfate-esterhydrocarbon derivativebenzenoidhalobenzenephenoxy compoundsulfuric acid esterorganooxygen compound |
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