| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:22:52 UTC |
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| Update Date | 2025-03-25 01:02:04 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02253594 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H10O8S |
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| Molecular Mass | 290.0096 |
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| SMILES | O=C(CC(O)C(=O)O)c1cccc(OS(=O)(=O)O)c1 |
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| InChI Key | XRQFDNKOLLHXDV-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 | alpha hydroxy acids and derivativesaryl alkyl ketonesbenzoyl derivativesbeta-hydroxy ketonesbutyrophenonescarboxylic acidsgamma-keto acids and derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesphenoxy compoundsphenylsulfatessecondary alcoholssulfuric acid monoesters |
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| Substituents | beta-hydroxy ketonemonocyclic benzene moietysulfuric acid monoestercarboxylic acidaryl alkyl ketonealpha-hydroxy acidbenzoylcarboxylic acid derivativephenylsulfateorganic oxidearylsulfatealcoholorganic sulfuric acid or derivativeshydroxy acidgamma-keto acidbutyrophenonearomatic homomonocyclic compoundmonocarboxylic acid or derivativesketo acidsecondary alcoholsulfate-esterhydrocarbon derivativebenzenoidphenoxy compoundsulfuric acid esteralkyl-phenylketone |
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