| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:16:09 UTC |
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| Update Date | 2025-03-21 18:34:26 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00100868 |
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| Frequency | 27.1 |
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| Structure | |
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| Chemical Formula | C19H26O6 |
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| Molecular Mass | 350.1729 |
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| SMILES | CC1C(Oc2ccc(CC3CCC(=O)O3)cc2)OC(CO)C(O)C1C |
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| InChI Key | TTXFKUYBIKGXEO-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 alcoholssecondary 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 compoundoxaneprimary alcoholorganoheterocyclic compoundorganooxygen compound |
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