| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:28:48 UTC |
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| Update Date | 2025-03-21 18:40:48 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00131356 |
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| Frequency | 19.3 |
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| Structure | |
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| Chemical Formula | C13H14O5 |
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| Molecular Mass | 250.0841 |
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| SMILES | COc1ccc(C2COC(=O)C2OC(C)=O)cc1 |
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| InChI Key | DKKPWBUXRBQWGV-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 heteromonocyclic compounds |
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| Alternative Parents | alkyl aryl etherscarbonyl compoundscarboxylic acid estersdicarboxylic acids and derivativesgamma butyrolactoneshydrocarbon derivativesmethoxybenzenesorganic oxidesoxacyclic compoundsphenoxy compoundstetrahydrofurans |
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| Substituents | monocyclic benzene moietycarbonyl groupetheraromatic heteromonocyclic compoundtetrahydrofuranalkyl aryl ethercarboxylic acid derivativemethoxybenzenegamma butyrolactonelactoneoxacycleorganic oxideorganic oxygen compoundanisolecarboxylic acid esterdicarboxylic acid or derivativeshydrocarbon derivativephenoxy compoundorganoheterocyclic compoundorganooxygen compound |
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