| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:01 UTC |
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| Update Date | 2025-03-25 00:50:47 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02183080 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H6Cl3NO7S |
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| Molecular Mass | 412.8931 |
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| SMILES | O=[N+]([O-])c1cc(Cl)cc(Cl)c1Oc1ccc(Cl)cc1OS(=O)(=O)O |
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| InChI Key | STDHOZBBBLZMFP-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | diphenylethers |
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| Direct Parent | diphenylethers |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | aryl chloridesdiarylethersdichlorobenzeneshydrocarbon derivativesnitroaromatic compoundsnitrobenzenesorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganochloridesorganonitrogen compoundsorganopnictogen compoundsphenol ethersphenoxy compoundsphenylsulfatespropargyl-type 1,3-dipolar organic compoundssulfuric acid monoesters |
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| Substituents | diaryl etherphenol ethersulfuric acid monoesteretherorganochlorideallyl-type 1,3-dipolar organic compoundorganohalogen compoundorganic nitro compound1,3-dichlorobenzenepropargyl-type 1,3-dipolar organic compoundphenylsulfateorganic oxidec-nitro compoundorganonitrogen compoundorganopnictogen compoundarylsulfateorganic oxoazaniumnitrobenzenenitroaromatic compoundaryl chloridechlorobenzeneorganic sulfuric acid or derivativesorganic 1,3-dipolar compoundaryl halidearomatic homomonocyclic compoundorganic oxygen compoundsulfate-esterhydrocarbon derivativeorganic nitrogen compoundhalobenzenephenoxy compoundsulfuric acid esterdiphenyletherorganooxygen compoundorganic hyponitrite |
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