| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:21:31 UTC |
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| Update Date | 2025-03-25 01:01:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02250598 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H20O6 |
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| Molecular Mass | 320.126 |
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| SMILES | O=C1CCC(Cc2cccc(OC3C=CC(O)C(O)C3O)c2)O1 |
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| InChI Key | XIVMVKUVIQCWKY-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 esterscyclitols and derivativesgamma butyrolactoneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundsphenoxy compoundssecondary alcoholstetrahydrofurans |
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| Substituents | alcoholphenol ethermonocyclic benzene moietycarbonyl groupetheraromatic heteromonocyclic compoundtetrahydrofurancyclitol or derivativesalkyl aryl ethercarboxylic acid derivativegamma butyrolactonelactoneoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid estersecondary alcoholhydrocarbon derivativephenoxy compoundorganoheterocyclic compoundorganooxygen compound |
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