| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:44:58 UTC |
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| Update Date | 2025-03-25 00:48:14 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02166983 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H8O7S |
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| Molecular Mass | 247.9991 |
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| SMILES | CC(=O)c1cc(O)cc(OS(=O)(=O)O)c1O |
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| InChI Key | RQVOAXQFSVGFTA-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 benzenoidsacetophenonesaryl alkyl ketonesbenzoyl derivativeshydrocarbon derivativeshydroquinonesorganic oxidesorganooxygen compoundsphenoxy compoundsphenylsulfatessulfuric acid monoestersvinylogous acids |
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| Substituents | monocyclic benzene moietysulfuric acid monoesteraryl alkyl ketonebenzoyl1-hydroxy-2-unsubstituted benzenoidphenylsulfateorganic oxideacetophenonearylsulfateorganic sulfuric acid or derivativeshydroquinonearomatic homomonocyclic compoundvinylogous acidsulfate-esterphenolhydrocarbon derivativebenzenoidphenoxy compoundsulfuric acid esteralkyl-phenylketone |
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