| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:50:08 UTC |
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| Update Date | 2025-03-21 18:02:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00038843 |
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| Frequency | 89.9 |
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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 | COc1cc(CC(C)=O)ccc1OS(=O)(=O)O |
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| InChI Key | DUNCKOGWLRSTTF-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 | alkyl aryl ethersanisoleshydrocarbon derivativesketonesmethoxybenzenesorganic oxidesphenoxy compoundsphenylpropanessulfuric acid monoesters |
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| Substituents | phenol ethermonocyclic benzene moietysulfuric acid monoestercarbonyl groupetheralkyl aryl ethermethoxybenzeneketonephenylpropanearomatic homomonocyclic compoundphenylsulfateorganic oxideorganic oxygen compoundanisolesulfate-esterhydrocarbon derivativebenzenoidphenoxy compoundsulfuric acid esterorganooxygen compound |
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