| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:54:29 UTC |
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| Update Date | 2025-03-25 00:51:41 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02188747 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C19H22O4 |
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| Molecular Mass | 314.1518 |
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| SMILES | CC1(C)CC(=O)C=CC1Oc1ccc(CC2CCC(=O)O2)cc1 |
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| InChI Key | SCWQTOJOMJERFQ-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 etherscarboxylic acid esterscyclohexenonesgamma butyrolactoneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundsphenoxy compoundstetrahydrofurans |
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| Substituents | cyclohexenonephenol ethermonocyclic benzene moietycarbonyl groupetheraromatic heteromonocyclic compoundtetrahydrofurancyclic ketonealkyl aryl ethercarboxylic acid derivativegamma butyrolactoneketonelactoneoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativephenoxy compoundorganoheterocyclic compoundorganooxygen compound |
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