| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:00:05 UTC |
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| Update Date | 2025-03-21 18:06:18 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00062387 |
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| Frequency | 49.7 |
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| Structure | |
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| Chemical Formula | C21H30O5 |
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| Molecular Mass | 362.2093 |
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| SMILES | CC(O)C1OC(Oc2cccc(CC3CCC(=O)O3)c2)C(C)C(C)C1C |
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| InChI Key | MFTQNWDURPPOLW-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 compoundssecondary alcoholstetrahydrofurans |
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| Substituents | alcoholphenol ethermonocyclic benzene moietycarbonyl grouparomatic heteromonocyclic compoundtetrahydrofurancarboxylic acid derivativegamma butyrolactonelactoneoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundacetalcarboxylic acid estersecondary alcoholhydrocarbon derivativephenoxy compoundoxaneorganoheterocyclic compoundorganooxygen compound |
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