| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:12:16 UTC |
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| Update Date | 2025-03-21 18:32:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00091417 |
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| Frequency | 30.7 |
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| Structure | |
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| Chemical Formula | C8H10O5S |
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| Molecular Mass | 218.0249 |
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| SMILES | Cc1ccc(O)c(C)c1OS(=O)(=O)O |
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| InChI Key | RAEJKBCOGJZYQT-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 compoundsortho cresolspara cresolsphenoxy compoundssulfuric acid monoestersm-xylenes |
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| Substituents | monocyclic benzene moietysulfuric acid monoesterm-xylene1-hydroxy-2-unsubstituted benzenoidaromatic homomonocyclic compoundxylenephenylsulfateorganic oxideorganic oxygen compoundp-cresolo-cresolsulfate-esterphenolhydrocarbon derivativebenzenoidphenoxy compoundsulfuric acid esterorganooxygen compound |
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