| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:17:30 UTC |
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| Update Date | 2025-03-25 01:00:08 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02241253 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H13NO6S |
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| Molecular Mass | 323.0464 |
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| SMILES | CC(=O)Nc1cc(S(=O)(=O)O)ccc1Oc1ccc(O)cc1 |
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| InChI Key | HPYICBMJMXRZBB-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-hydroxy-2-unsubstituted benzenoids1-sulfo,2-unsubstituted aromatic compoundsacetamidesacetanilidesarylsulfonic acids and derivativesbenzenesulfonic acids and derivativesbenzenesulfonyl compoundscarbonyl compoundscarboxylic acids and derivativesdiarylethershydrocarbon derivativesn-acetylarylaminesorganic oxidesorganopnictogen compoundsorganosulfonic acidsphenol ethersphenoxy compoundssecondary carboxylic acid amidessulfonyls |
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| Substituents | diaryl etherphenol etherorganosulfonic acid or derivativescarbonyl groupethern-acetylarylamineorganosulfonic acid1-hydroxy-2-unsubstituted benzenoidn-arylamidebenzenesulfonateorganosulfur compoundcarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compoundacetamidebenzenesulfonyl group1-sulfo,2-unsubstituted aromatic compoundacetanilidecarboxamide grouparomatic homomonocyclic compoundanilidesecondary carboxylic acid amidesulfonylorganic oxygen compoundarylsulfonic acid or derivativesorganic sulfonic acid or derivativesphenolhydrocarbon derivativeorganic nitrogen compoundphenoxy compounddiphenyletherorganooxygen compound |
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