| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:45:03 UTC |
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| Update Date | 2025-03-21 18:00:21 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00026782 |
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| Frequency | 142.3 |
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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 | Cc1cc(C)c(OS(=O)(=O)O)c(O)c1 |
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| InChI Key | DBHMAVFBTHISDX-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 benzenoids1-hydroxy-4-unsubstituted benzenoidshydrocarbon derivativesmeta cresolsorganic oxidesorganooxygen compoundsphenoxy compoundssulfuric acid monoestersm-xylenes |
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| Substituents | monocyclic benzene moietysulfuric acid monoesterm-cresolm-xylene1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidaromatic homomonocyclic compoundxylenephenylsulfateorganic oxideorganic oxygen compoundsulfate-esterphenolhydrocarbon derivativebenzenoidphenoxy compoundsulfuric acid esterorganooxygen compound |
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