| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:13:40 UTC |
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| Update Date | 2025-03-21 18:33:13 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00094797 |
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| Frequency | 29.3 |
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| Structure | |
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| Chemical Formula | C11H12O7S |
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| Molecular Mass | 288.0304 |
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| SMILES | COc1ccc(C=CC(=O)OS(=O)(=O)O)cc1OC |
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| InChI Key | BDKWCAYOFHTKNC-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | phenylpropanoids and polyketides |
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| Class | cinnamic acids and derivatives |
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| Subclass | cinnamic acids and derivatives |
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| Direct Parent | cinnamic acids and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkyl aryl ethersanisolescarbonyl compoundsdimethoxybenzeneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesphenoxy compoundssulfuric acid monoesters |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupsulfuric acid monoesteretherorganic sulfuric acid or derivativesalkyl aryl ethercarboxylic acid derivativemethoxybenzenearomatic homomonocyclic compounddimethoxybenzenecinnamic acid or derivativesorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundanisoleo-dimethoxybenzenehydrocarbon derivativebenzenoidphenoxy compoundsulfuric acid esterorganooxygen compound |
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