| Record Information |
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| HMDB Status | predicted |
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| Creation Date | 2024-02-21 00:00:26 UTC |
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| Update Date | 2025-03-21 18:06:26 UTC |
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| HMDB ID | HMDB0133772 |
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| Metabolite Identification |
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| DeepMet ID | DMID00063159 |
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| Name | [3-(3-oxobutyl)phenyl]oxidanesulfonic acid |
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| Frequency | 48.9 |
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| Structure | |
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| Chemical Formula | C10H12O5S |
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| Molecular Mass | 244.0405 |
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| SMILES | CC(=O)CCc1cccc(OS(=O)(=O)O)c1 |
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| InChI Key | LJCYBECXTWORBM-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | organic sulfuric acids and derivatives |
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| Subclass | arylsulfates |
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| Direct Parent | phenylsulfates |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | hydrocarbon derivativesketonesorganic oxidesphenoxy compoundssulfuric acid monoesters |
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| Substituents | monocyclic benzene moietysulfuric acid monoestercarbonyl groupketonearomatic homomonocyclic compoundphenylsulfateorganic oxideorganic oxygen compoundsulfate-esterhydrocarbon derivativebenzenoidphenoxy compoundsulfuric acid esterorganooxygen compound |
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