| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:37:59 UTC |
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| Update Date | 2025-03-21 17:57:53 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00010800 |
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| Frequency | 433.6 |
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| Structure | |
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| Chemical Formula | C7H8O5S |
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| Molecular Mass | 204.0092 |
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| SMILES | Cc1ccc(O)cc1OS(=O)(=O)O |
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| InChI Key | QOXIBBRTBARCRK-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 compoundspara cresolsphenoxy compoundssulfuric acid monoesterstoluenes |
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| Substituents | monocyclic benzene moietysulfuric acid monoester1-hydroxy-2-unsubstituted benzenoidaromatic homomonocyclic compoundphenylsulfateorganic oxideorganic oxygen compoundp-cresolsulfate-esterphenolhydrocarbon derivativebenzenoidphenoxy compoundsulfuric acid estertolueneorganooxygen compound |
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