| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:14:57 UTC |
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| Update Date | 2025-03-25 00:59:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02235514 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H16O4 |
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| Molecular Mass | 236.1049 |
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| SMILES | COc1ccc(CC(OC(C)=O)C(C)=O)cc1 |
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| InChI Key | LIKSLQKBAPEZRC-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | phenol ethers |
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| Subclass | anisoles |
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| Direct Parent | anisoles |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkyl aryl ethersalpha-acyloxy ketonescarboxylic acid estershydrocarbon derivativesketonesmethoxybenzenesmonocarboxylic acids and derivativesorganic oxidesphenoxy compounds |
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| Substituents | monocyclic benzene moietycarbonyl groupetheralpha-acyloxy ketonealkyl aryl ethercarboxylic acid derivativemethoxybenzeneketonearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundanisolecarboxylic acid esterhydrocarbon derivativephenoxy compoundorganooxygen compound |
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