| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:03:14 UTC |
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| Update Date | 2025-03-25 00:54:48 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02208669 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H12O6S |
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| Molecular Mass | 260.0355 |
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| SMILES | CC(=O)c1c(OS(=O)(=O)O)cc(C)c(O)c1C |
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| InChI Key | ZWQMZMBNPPIMOL-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 | acetophenonesaryl alkyl ketonesbenzoyl derivativeshydrocarbon derivativesorganic oxidesorganooxygen compoundsortho cresolsphenolsphenoxy compoundsphenylsulfatessulfuric acid monoestersm-xylenes |
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| Substituents | monocyclic benzene moietysulfuric acid monoesteraryl alkyl ketonebenzoylxylenephenylsulfateorganic oxideo-cresolacetophenonearylsulfateorganic sulfuric acid or derivativesm-xylenearomatic homomonocyclic compoundsulfate-esterphenolhydrocarbon derivativebenzenoidphenoxy compoundsulfuric acid esteralkyl-phenylketone |
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