| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:51:32 UTC |
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| Update Date | 2025-03-21 18:03:05 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00042208 |
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| Frequency | 81.0 |
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| Structure | |
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| Chemical Formula | C13H16O3 |
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| Molecular Mass | 220.1099 |
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| SMILES | COc1ccc(C=CC(=O)OC(C)C)cc1 |
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| InChI Key | XATKDVHSLQMHSY-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 compoundsenoate estersfatty acid estershydrocarbon derivativesmethoxybenzenesmonocarboxylic acids and derivativesorganic oxidesphenoxy compounds |
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| Substituents | enoate esterfatty acylphenol ethermonocyclic benzene moietycarbonyl groupetheralkyl aryl ethercarboxylic acid derivativemethoxybenzenearomatic homomonocyclic compoundalpha,beta-unsaturated carboxylic esterfatty acid estercinnamic acid or derivativesorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundanisolecarboxylic acid esterhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compound |
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