| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:08:08 UTC |
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| Update Date | 2025-03-21 18:30:17 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00081717 |
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| Frequency | 35.4 |
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| Structure | |
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| Chemical Formula | C8H8O7S |
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| Molecular Mass | 247.9991 |
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| SMILES | O=C(O)Cc1cccc(OS(=O)(=O)O)c1O |
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| InChI Key | XRRRLDULRDZOPX-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 | phenylacetic acids |
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| Direct Parent | 2(hydroxyphenyl)acetic acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-4-unsubstituted benzenoidscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesphenoxy compoundsphenylsulfatessulfuric acid monoesters |
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| Substituents | sulfuric acid monoestercarbonyl groupcarboxylic acidorganic sulfuric acid or derivatives1-hydroxy-4-unsubstituted benzenoidcarboxylic acid derivativearomatic homomonocyclic compoundphenylsulfateorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundsulfate-esterphenolhydrocarbon derivativearylsulfatephenoxy compoundsulfuric acid esterorganooxygen compound2(hydroxyphenyl)acetic acid |
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