| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:02 UTC |
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| Update Date | 2025-03-25 00:50:05 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02178604 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H10O6S |
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| Molecular Mass | 246.0198 |
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| SMILES | Cc1cccc(OCC(=O)OS(=O)(=O)O)c1 |
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| InChI Key | MUAJKUMPUGGLCV-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | phenoxyacetic acid derivatives |
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| Direct Parent | phenoxyacetic acid derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkyl aryl etherscarbonyl compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesphenol ethersphenoxy compoundssulfuric acid monoesterstoluenes |
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| Substituents | phenol etherphenoxyacetatesulfuric acid monoestercarbonyl groupetherorganic sulfuric acid or derivativesalkyl aryl ethercarboxylic acid derivativearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativephenoxy compoundsulfuric acid estertolueneorganooxygen compound |
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