| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:49:35 UTC |
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| Update Date | 2025-03-25 00:49:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02177597 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H10O6S |
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| Molecular Mass | 234.0198 |
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| SMILES | COc1cc(C)c(O)cc1OS(=O)(=O)O |
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| InChI Key | LQXRXAJPOCXNFD-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 benzenoids4-alkoxyphenolsalkyl aryl ethersanisoleshydrocarbon derivativesmethoxybenzenesmethoxyphenolsorganic oxidesortho cresolsphenoxy compoundssulfuric acid monoesterstoluenes |
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| Substituents | phenol ethermonocyclic benzene moietysulfuric acid monoesterethermethoxyphenol1-hydroxy-2-unsubstituted benzenoidalkyl aryl etherphenylsulfateorganic oxideo-cresol4-alkoxyphenolmethoxybenzenearomatic homomonocyclic compoundorganic oxygen compoundanisolesulfate-esterphenolhydrocarbon derivativebenzenoidphenoxy compoundsulfuric acid estertolueneorganooxygen compound |
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