| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:51:08 UTC |
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| Update Date | 2025-03-21 18:02:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00041251 |
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| Frequency | 83.4 |
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| Structure | |
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| Chemical Formula | C9H11NO7S |
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| Molecular Mass | 277.0256 |
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| SMILES | CC(=O)Nc1ccc(OCOS(=O)(=O)O)cc1O |
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| InChI Key | RACJFLXDDMUIHZ-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 | anilides |
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| Direct Parent | acetanilides |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsacetamidesalkyl sulfatescarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativesn-acetylarylaminesorganic oxidesorganopnictogen compoundsphenol ethersphenoxy compoundssecondary carboxylic acid amidessulfuric acid monoesters |
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| Substituents | phenol ethersulfuric acid monoestercarbonyl groupn-acetylarylamine1-hydroxy-2-unsubstituted benzenoidn-arylamidecarboxylic acid derivativeorganic oxidealkyl sulfateorganonitrogen compoundorganopnictogen compoundacetamideorganic sulfuric acid or derivativesacetanilide1-hydroxy-4-unsubstituted benzenoidcarboxamide grouparomatic homomonocyclic compoundsecondary carboxylic acid amideorganic oxygen compoundsulfate-esterphenolhydrocarbon derivativeorganic nitrogen compoundphenoxy compoundsulfuric acid esterorganooxygen compound |
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