| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:37:17 UTC |
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| Update Date | 2025-03-21 17:57:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00009123 |
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| Frequency | 531.5 |
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| Structure | |
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| Chemical Formula | C8H8O6S |
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| Molecular Mass | 232.0042 |
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| SMILES | COc1ccc(C(=O)OS(=O)(=O)O)cc1 |
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| InChI Key | AGJXYZWWXFZPFE-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 | benzoic acids and derivatives |
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| Direct Parent | p-methoxybenzoic acids and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkyl aryl ethersanisolesbenzoic acids and derivativesbenzoyl derivativeshydrocarbon derivativesmethoxybenzenesmonocarboxylic acids and derivativesorganic oxidesphenoxy compoundssulfuric acid monoesters |
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| Substituents | phenol ethersulfuric acid monoesteretherorganic sulfuric acid or derivativesbenzoylalkyl aryl ethercarboxylic acid derivativemethoxybenzenearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundp-methoxybenzoic acid or derivativesanisolehydrocarbon derivativephenoxy compoundsulfuric acid esterorganooxygen compound |
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