| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:09:32 UTC |
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| Update Date | 2025-03-25 00:57:13 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02223405 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H11NO4S2 |
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| Molecular Mass | 249.013 |
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| SMILES | NC(S)Cc1ccc(OS(=O)(=O)O)cc1 |
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| InChI Key | WGOWRYWTWXQRLR-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 | alkylthiolshydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsphenoxy compoundssulfuric acid monoestersthiohemiaminal derivatives |
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| Substituents | monocyclic benzene moietysulfuric acid monoesterorganosulfur compoundaromatic homomonocyclic compoundphenylsulfateorganic oxideorganic oxygen compoundorganonitrogen compoundhemithioaminalorganopnictogen compoundsulfate-esterhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundphenoxy compoundsulfuric acid esteralkylthiolorganooxygen compound |
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