| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:38:39 UTC |
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| Update Date | 2025-03-21 17:58:07 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00012372 |
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| Frequency | 367.7 |
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| Structure | |
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| Chemical Formula | C10H14O5S |
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| Molecular Mass | 246.0562 |
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| SMILES | CC(C)(C)c1cc(OS(=O)(=O)O)ccc1O |
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| InChI Key | XWORSCCDYLGUGA-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 | 1-hydroxy-2-unsubstituted benzenoidshydrocarbon derivativesorganic oxidesorganooxygen compoundsphenoxy compoundsphenylpropanessulfuric acid monoesters |
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| Substituents | monocyclic benzene moietysulfuric acid monoester1-hydroxy-2-unsubstituted benzenoidphenylpropanearomatic homomonocyclic compoundphenylsulfateorganic oxideorganic oxygen compoundsulfate-esterphenolhydrocarbon derivativebenzenoidphenoxy compoundsulfuric acid esterorganooxygen compound |
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