Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-21 00:17:56 UTC |
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Update Date | 2025-03-21 18:35:22 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID00105289 |
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Frequency | 25.7 |
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Structure | |
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Chemical Formula | C13H14O3 |
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Molecular Mass | 218.0943 |
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SMILES | COc1ccc(C=CC(=O)CC(C)=O)cc1 |
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InChI Key | MCLOSNALELLWRW-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 | acryloyl compoundsalkyl aryl ethersanisolesenoneshydrocarbon derivativesketonesmethoxybenzenesorganic oxidesphenoxy compounds |
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Substituents | phenol ethermonocyclic benzene moietycarbonyl groupetheralkyl aryl etheralpha,beta-unsaturated ketonemethoxybenzeneketonearomatic homomonocyclic compoundcinnamic acid or derivativesorganic oxideorganic oxygen compoundanisolehydrocarbon derivativebenzenoidacryloyl-groupphenoxy compoundorganooxygen compoundenone |
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