| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:20:35 UTC |
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| Update Date | 2025-03-25 01:01:19 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02248420 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H3Cl2NO5S |
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| Molecular Mass | 282.9109 |
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| SMILES | N#Cc1c(O)cc(OS(=O)(=O)O)c(Cl)c1Cl |
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| InChI Key | YQPVYAFEKSALRL-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 benzenoidsaryl chloridesbenzonitrilesdichlorobenzeneshalophenolshydrocarbon derivativesm-chlorophenolsnitrilesorganic oxidesorganochloridesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsp-chlorophenolsphenoxy compoundssulfuric acid monoesters |
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| Substituents | monocyclic benzene moietysulfuric acid monoesternitrileorganochloride1-hydroxy-2-unsubstituted benzenoidorganohalogen compoundphenylsulfateorganic oxide4-halophenolorganonitrogen compoundorganopnictogen compound1,2-dichlorobenzenecarbonitrilearyl chloridechlorobenzene3-halophenol3-chlorophenol4-chlorophenolbenzonitrilearyl halidearomatic homomonocyclic compoundorganic oxygen compoundsulfate-esterphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzenephenoxy compoundsulfuric acid esterorganooxygen compound |
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