| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:23:11 UTC |
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| Update Date | 2025-03-21 18:37:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00118104 |
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| Frequency | 22.1 |
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| Structure | |
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| Chemical Formula | C16H18O5 |
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| Molecular Mass | 290.1154 |
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| SMILES | O=C1CCC(COc2ccc(CC3CCC(=O)O3)cc2)O1 |
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| InChI Key | QOOHHZRDFFRHEL-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 | phenol ethers |
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| Direct Parent | phenol ethers |
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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 derivativesorganic oxidesoxacyclic compoundsphenoxy compoundstetrahydrofurans |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupetheraromatic heteromonocyclic compoundtetrahydrofuranalkyl aryl ethercarboxylic acid derivativegamma butyrolactonelactoneoxacycleorganic oxideorganic oxygen compoundcarboxylic acid esterdicarboxylic acid or derivativeshydrocarbon derivativephenoxy compoundorganoheterocyclic compoundorganooxygen compound |
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