| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:08:19 UTC |
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| Update Date | 2025-03-21 18:30:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00082170 |
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| Frequency | 35.2 |
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| Structure | |
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| Chemical Formula | C8H9NO6S |
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| Molecular Mass | 247.0151 |
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| SMILES | NCC(=O)c1ccc(OS(=O)(=O)O)c(O)c1 |
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| InChI Key | WQBBTUGUROUYHM-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbonyl compounds |
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| Direct Parent | alkyl-phenylketones |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsaryl alkyl ketonesbenzoyl derivativeshydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsphenoxy compoundsphenylsulfatessulfuric acid monoesters |
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| Substituents | monocyclic benzene moietysulfuric acid monoesteraryl alkyl ketonebenzoyl1-hydroxy-2-unsubstituted benzenoidphenylsulfateorganic oxideorganonitrogen compoundorganopnictogen compoundarylsulfateorganic sulfuric acid or derivatives1-hydroxy-4-unsubstituted benzenoidaromatic homomonocyclic compoundsulfate-esterphenolhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundphenoxy compoundsulfuric acid esteralkyl-phenylketone |
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