| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:38:19 UTC |
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| Update Date | 2025-03-21 17:58:00 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00011570 |
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| Frequency | 398.6 |
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| Structure | |
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| Chemical Formula | C11H12O8S |
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| Molecular Mass | 304.0253 |
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| SMILES | COc1cc(C=CC(=O)O)cc(OS(=O)(=O)O)c1OC |
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| InChI Key | ZCAAGASTGCYMKR-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 compoundscarboxylic acidsdimethoxybenzeneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesphenoxy compoundsphenylsulfatessulfuric acid monoesters |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupsulfuric acid monoesterethercarboxylic acidalkyl aryl ethercarboxylic acid derivativedimethoxybenzenephenylsulfatecinnamic acid or derivativesorganic oxideo-dimethoxybenzenearylsulfateorganic sulfuric acid or derivativesmethoxybenzenearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundanisolesulfate-esterhydrocarbon derivativebenzenoidphenoxy compoundsulfuric acid esterorganooxygen compound |
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