| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:56:34 UTC |
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| Update Date | 2025-03-21 18:05:00 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00054059 |
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| Frequency | 59.6 |
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| Structure | |
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| Chemical Formula | C20H28O5 |
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| Molecular Mass | 348.1937 |
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| SMILES | CC1C(CO)OC(Oc2cccc(CC3CCC(=O)O3)c2)C(C)C1C |
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| InChI Key | GDQSODDXYPPSLR-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 compoundsprimary alcoholstetrahydrofurans |
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| Substituents | alcoholphenol ethermonocyclic benzene moietycarbonyl grouparomatic heteromonocyclic compoundtetrahydrofurancarboxylic acid derivativegamma butyrolactonelactoneoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundacetalcarboxylic acid esterhydrocarbon derivativephenoxy compoundoxaneprimary alcoholorganoheterocyclic compoundorganooxygen compound |
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