| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:12:33 UTC |
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| Update Date | 2025-03-21 18:32:41 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00092106 |
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| Frequency | 30.4 |
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| Structure | |
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| Chemical Formula | C8H9NO5S |
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| Molecular Mass | 231.0201 |
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| SMILES | NCC(=O)c1ccc(OS(=O)(=O)O)cc1 |
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| InChI Key | FZSCZSAZRRBOTG-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 | aryl alkyl ketonesbenzoyl derivativeshydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsphenoxy compoundsphenylsulfatessulfuric acid monoesters |
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| Substituents | monocyclic benzene moietysulfuric acid monoesteraryl alkyl ketonebenzoylphenylsulfateorganic oxideorganonitrogen compoundorganopnictogen compoundarylsulfateorganic sulfuric acid or derivativesaromatic homomonocyclic compoundsulfate-esterhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundphenoxy compoundsulfuric acid esteralkyl-phenylketone |
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