| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:14:07 UTC |
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| Update Date | 2025-03-25 00:58:54 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02233564 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H22O4 |
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| Molecular Mass | 302.1518 |
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| SMILES | COc1ccc(C=CC(=O)OC2CCC(C(C)=O)CC2)cc1 |
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| InChI Key | MNXSXDKUPHZBQE-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 ethersanisolesenoate estersfatty acid estershydrocarbon derivativesketonesmethoxybenzenesmonocarboxylic acids and derivativesorganic oxidesphenoxy compounds |
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| Substituents | enoate esterfatty acylphenol ethermonocyclic benzene moietycarbonyl groupetheralkyl aryl ethercarboxylic acid derivativemethoxybenzeneketonearomatic 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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