| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:07 UTC |
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| Update Date | 2025-03-25 00:53:43 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02201546 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C21H30O4 |
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| Molecular Mass | 346.2144 |
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| SMILES | Cc1cc(CC2CCC(=O)O2)ccc1OC1OC(C)C(C)C(C)C1C |
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| InChI Key | GIWKNLCCKUNFMZ-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 | acetalscarbonyl compoundscarboxylic acid estersgamma butyrolactoneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundsoxanesphenoxy compoundstetrahydrofuranstoluenes |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl grouparomatic heteromonocyclic compoundtetrahydrofurancarboxylic acid derivativegamma butyrolactonelactoneoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundacetalcarboxylic acid esterhydrocarbon derivativephenoxy compoundoxanetolueneorganoheterocyclic compoundorganooxygen compound |
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