| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:00:15 UTC |
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| Update Date | 2025-03-21 18:06:22 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00062737 |
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| Frequency | 49.4 |
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| Structure | |
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| Chemical Formula | C6H5NO6S |
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| Molecular Mass | 218.9838 |
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| SMILES | O=Nc1ccc(OS(=O)(=O)O)cc1O |
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| InChI Key | SJVMGUDUVBTVCW-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 benzenoidsc-nitroso compoundshydrocarbon derivativesorganic oxidesorganooxygen compoundsorganopnictogen compoundsphenoxy compoundspropargyl-type 1,3-dipolar organic compoundssulfuric acid monoesters |
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| Substituents | monocyclic benzene moietysulfuric acid monoester1-hydroxy-2-unsubstituted benzenoidpropargyl-type 1,3-dipolar organic compoundphenylsulfateorganic oxideorganonitrogen compoundorganopnictogen compoundorganic nitroso compoundorganic 1,3-dipolar compound1-hydroxy-4-unsubstituted benzenoidaromatic homomonocyclic compoundorganic oxygen compoundsulfate-esterphenolc-nitroso compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundsulfuric acid esterorganooxygen compound |
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