| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:01:53 UTC |
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| Update Date | 2025-03-25 00:54:19 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02205558 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H15NO8S2 |
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| Molecular Mass | 389.0239 |
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| SMILES | NCCc1ccc(Oc2ccc(S(=O)(=O)O)cc2OS(=O)(=O)O)cc1 |
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| InChI Key | NJOHAUWAGJDJOR-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | diphenylethers |
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| Direct Parent | diphenylethers |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-sulfo,2-unsubstituted aromatic compoundsarylsulfonic acids and derivativesbenzenesulfonic acids and derivativesbenzenesulfonyl compoundsdiarylethershydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfonic acidsphenol ethersphenoxy compoundsphenylsulfatessulfonylssulfuric acid monoesters |
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| Substituents | diaryl etherphenol etherorganosulfonic acid or derivativessulfuric acid monoesteretherorganosulfonic acidbenzenesulfonateorganosulfur compoundphenylsulfateorganic oxideorganonitrogen compoundorganopnictogen compoundarylsulfatebenzenesulfonyl grouporganic sulfuric acid or derivatives1-sulfo,2-unsubstituted aromatic compoundaromatic homomonocyclic compoundsulfonylorganic oxygen compoundarylsulfonic acid or derivativesorganic sulfonic acid or derivativessulfate-esterhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundphenoxy compoundsulfuric acid esterdiphenyletherorganooxygen compound |
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