| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:23:37 UTC |
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| Update Date | 2025-03-21 18:38:07 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00119106 |
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| Frequency | 21.9 |
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| Structure | |
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| Chemical Formula | C6H5NO7S |
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| Molecular Mass | 234.9787 |
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| SMILES | O=[N+]([O-])c1ccc(OS(=O)(=O)O)cc1O |
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| InChI Key | AVPKCWXLXKBATB-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 benzenoids1-hydroxy-4-unsubstituted benzenoidshydrocarbon derivativesnitroaromatic compoundsnitrobenzenesnitrophenolsorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsphenoxy compoundspropargyl-type 1,3-dipolar organic compoundssulfuric acid monoesters |
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| Substituents | monocyclic benzene moietysulfuric acid monoesterallyl-type 1,3-dipolar organic compound1-hydroxy-2-unsubstituted benzenoidorganic nitro compoundpropargyl-type 1,3-dipolar organic compoundphenylsulfateorganic oxidec-nitro compoundorganonitrogen compoundorganopnictogen compoundorganic oxoazaniumnitrophenolnitrobenzenenitroaromatic compoundorganic 1,3-dipolar compound1-hydroxy-4-unsubstituted benzenoidaromatic homomonocyclic compoundorganic oxygen compoundsulfate-esterphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundsulfuric acid esterorganooxygen compoundorganic hyponitrite |
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