| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:38:18 UTC |
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| Update Date | 2025-03-21 17:58:00 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00011503 |
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| Frequency | 401.4 |
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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(C)c(OS(=O)(=O)O)c1O |
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| InChI Key | CFMNKGGSAIXDRH-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-4-unsubstituted benzenoidshydrocarbon derivativesmeta cresolsorganic oxidesorganooxygen compoundsortho cresolsphenoxy compoundssulfuric acid monoestersp-xylenesp-xylenols |
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| Substituents | monocyclic benzene moietysulfuric acid monoesterm-cresol1-hydroxy-4-unsubstituted benzenoidaromatic homomonocyclic compoundxylenephenylsulfateorganic oxidep-xyleneorganic oxygen compoundxylenolo-cresolp-xylenolsulfate-esterphenolhydrocarbon derivativebenzenoidphenoxy compoundsulfuric acid esterorganooxygen compound |
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