| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:49:18 UTC |
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| Update Date | 2025-03-21 18:02:11 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00036875 |
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| Frequency | 95.7 |
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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)OS(=O)(=O)O)cc(OC)c1O |
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| InChI Key | LAHUBJBDDCZJTK-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 | hydroxycinnamic acids and derivatives |
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| Direct Parent | hydroxycinnamic acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkyl aryl ethersanisolescarbonyl compoundsdimethoxybenzeneshydrocarbon derivativesmethoxyphenolsmonocarboxylic acids and derivativesorganic oxidesphenoxy compoundssulfuric acid monoesters |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupsulfuric acid monoesterethermethoxyphenolalkyl aryl ethercarboxylic acid derivativedimethoxybenzeneorganic oxideorganic sulfuric acid or derivativesmethoxybenzenehydroxycinnamic acidaromatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundm-dimethoxybenzeneanisolephenolhydrocarbon derivativebenzenoidphenoxy compoundsulfuric acid esterorganooxygen compound |
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