| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:18:34 UTC |
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| Update Date | 2025-03-21 18:35:41 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00106845 |
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| Frequency | 25.2 |
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| Structure | |
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| Chemical Formula | C6H7NO8S2 |
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| Molecular Mass | 284.9613 |
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| SMILES | O=S(=O)(O)Nc1ccc(OS(=O)(=O)O)cc1O |
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| InChI Key | YGVYTQVSBQSDBU-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 derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsphenoxy compoundssulfanilidessulfuric acid monoamidessulfuric acid monoesters |
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| Substituents | monocyclic benzene moietysulfuric acid monoester1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidaromatic homomonocyclic compoundphenylsulfatesulfanilideorganic oxideorganic oxygen compoundorganonitrogen compoundsulfuric acid monoamideorganopnictogen compoundsulfate-esterphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundsulfuric acid esterorganooxygen compound |
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