| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:51:42 UTC |
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| Update Date | 2025-03-21 18:03:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00042612 |
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| Frequency | 80.1 |
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| Structure | |
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| Chemical Formula | C13H14O4 |
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| Molecular Mass | 234.0892 |
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| SMILES | COc1ccc(C=CC(=O)OCC(C)=O)cc1 |
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| InChI Key | FAGZJKFTYUAORB-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 ethersalpha-acyloxy ketonesanisolesenoate estersfatty acid estershydrocarbon derivativesketonesmethoxybenzenesmonocarboxylic acids and derivativesorganic oxidesphenoxy compounds |
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| Substituents | fatty acylphenol ethermonocyclic benzene moietycarbonyl groupetheralpha-acyloxy ketonealkyl aryl ethercarboxylic acid derivativeketonealpha,beta-unsaturated carboxylic estercinnamic acid or derivativesorganic oxideenoate estermethoxybenzenearomatic homomonocyclic compoundfatty acid estermonocarboxylic acid or derivativesorganic oxygen compoundanisolecarboxylic acid esterhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compound |
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