| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:14 UTC |
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| Update Date | 2025-03-25 00:50:08 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02179056 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H16O5 |
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| Molecular Mass | 300.0998 |
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| SMILES | COc1ccc(C=CC(=O)Oc2ccccc2O)cc1OC |
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| InChI Key | XKEDVWAUDAKNNL-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 benzenoids1-hydroxy-4-unsubstituted benzenoidsalkyl aryl ethersanisolescarbonyl compoundsdimethoxybenzenesenoate estersfatty acid estershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesphenol estersphenoxy compounds |
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| Substituents | fatty acylphenol ethermonocyclic benzene moietycarbonyl groupether1-hydroxy-2-unsubstituted benzenoidalkyl aryl ethercarboxylic acid derivativedimethoxybenzenealpha,beta-unsaturated carboxylic estercinnamic acid or derivativesorganic oxideo-dimethoxybenzeneenoate ester1-hydroxy-4-unsubstituted benzenoidmethoxybenzenearomatic homomonocyclic compoundfatty acid estermonocarboxylic acid or derivativesorganic oxygen compoundanisolecarboxylic acid esterphenol esterphenolhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compound |
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