| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:02:08 UTC |
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| Update Date | 2025-03-25 00:54:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02206117 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H12N2O6S |
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| Molecular Mass | 324.0416 |
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| SMILES | NC(=O)Nc1ccc(Oc2ccccc2OS(=O)(=O)O)cc1 |
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| InChI Key | MYLKNFIROKWYIF-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 | carbonyl compoundsdiarylethershydrocarbon derivativesn-phenylureasorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenol ethersphenoxy compoundsphenylsulfatessulfuric acid monoesters |
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| Substituents | diaryl etherphenol ethersulfuric acid monoestercarbonyl groupetherphenylsulfateorganic oxideorganonitrogen compoundorganopnictogen compoundarylsulfatecarbonic acid derivativeorganic sulfuric acid or derivativesaromatic homomonocyclic compoundn-phenylureaorganic oxygen compoundsulfate-esterhydrocarbon derivativeorganic nitrogen compoundphenoxy compoundsulfuric acid esterdiphenyletherorganooxygen compound |
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