| Record Information |
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| HMDB Status | expected |
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| Creation Date | 2024-02-20 23:34:23 UTC |
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| Update Date | 2025-03-21 17:56:35 UTC |
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| HMDB ID | HMDB0240459 |
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| Metabolite Identification |
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| DeepMet ID | DMID00002359 |
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| Name | 4-Methylcatechol 1-sulfate |
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| Frequency | 2587.7 |
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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(OS(=O)(=O)O)c(O)c1 |
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| InChI Key | NCOMUGOPQPRVSE-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 monoesterstoluenes |
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| Substituents | monocyclic benzene moietysulfuric acid monoesterm-cresol1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidaromatic homomonocyclic compoundphenylsulfateorganic oxideorganic oxygen compoundsulfate-esterphenolhydrocarbon derivativebenzenoidphenoxy compoundsulfuric acid estertolueneorganooxygen compound |
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