| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:15:30 UTC |
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| Update Date | 2025-03-21 18:34:07 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00099269 |
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| Frequency | 27.7 |
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| Structure | |
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| Chemical Formula | C9H12O5S |
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| Molecular Mass | 232.0405 |
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| SMILES | Cc1cc(C)c(OS(=O)(=O)O)c(C)c1O |
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| InChI Key | FKCJXHTVOAFBGS-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 | hydrocarbon derivativesorganic oxidesorganooxygen compoundsortho cresolspara cresolsphenolsphenoxy compoundssulfuric acid monoesters |
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| Substituents | monocyclic benzene moietysulfuric acid monoesteraromatic homomonocyclic compoundphenylsulfateorganic oxideorganic oxygen compoundp-cresolo-cresolsulfate-esterphenolhydrocarbon derivativebenzenoidphenoxy compoundsulfuric acid esterorganooxygen compound |
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