| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:43 UTC |
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| Update Date | 2025-03-25 00:50:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02182428 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C6H6N2O6S |
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| Molecular Mass | 233.9947 |
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| SMILES | O=NNc1ccc(OS(=O)(=O)O)cc1O |
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| InChI Key | ICJPFKUKZQOHRY-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 n-nitroso compoundsorganic oxidesorganooxygen compoundsorganopnictogen compoundsphenoxy compoundsphenylhydrazinessulfuric acid monoesters |
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| Substituents | monocyclic benzene moietysulfuric acid monoesterorganic nitroso compound1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidaromatic homomonocyclic compoundphenylsulfateorganic n-nitroso compoundorganic oxideorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundsulfate-esterphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundsulfuric acid esterphenylhydrazineorganooxygen compound |
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