| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:37:42 UTC |
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| Update Date | 2025-03-25 00:45:39 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02150433 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H18O9S |
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| Molecular Mass | 410.0672 |
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| SMILES | COc1cc(C=CC(=O)OCc2ccc(O)cc2)cc(OC)c1OS(=O)(=O)O |
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| InChI Key | DQBMRHLHHRMDBL-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 | 1-hydroxy-2-unsubstituted benzenoidsalkyl aryl ethersanisolesbenzyloxycarbonylscarbonyl compoundsdimethoxybenzenesenoate estersfatty acid estershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesphenoxy compoundsphenylsulfatessulfuric acid monoesters |
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| Substituents | benzyloxycarbonylfatty acylphenol ethermonocyclic benzene moietycarbonyl groupsulfuric acid monoesterether1-hydroxy-2-unsubstituted benzenoidalkyl aryl ethercarboxylic acid derivativedimethoxybenzenephenylsulfatealpha,beta-unsaturated carboxylic estercinnamic acid or derivativesorganic oxidearylsulfateenoate esterorganic sulfuric acid or derivativesmethoxybenzenearomatic homomonocyclic compoundfatty acid estermonocarboxylic acid or derivativesorganic oxygen compoundm-dimethoxybenzeneanisolecarboxylic acid estersulfate-esterphenolhydrocarbon derivativebenzenoidphenoxy compoundsulfuric acid esterorganooxygen compound |
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