| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:53:41 UTC |
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| Update Date | 2025-03-21 18:03:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00047407 |
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| Frequency | 70.3 |
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| Structure | |
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| Chemical Formula | C19H26O7 |
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| Molecular Mass | 366.1679 |
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| SMILES | CC1C(C)C(C(O)O)OC(Oc2ccc(CC3CCC(=O)O3)cc2)C1O |
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| InChI Key | WQNSOGNYLMOYAK-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 compoundscarbonyl hydratescarboxylic acid estersgamma butyrolactoneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundsoxanesphenoxy compoundssecondary alcoholstetrahydrofurans |
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| Substituents | alcoholphenol ethermonocyclic benzene moietycarbonyl groupcarbonyl hydratearomatic heteromonocyclic compoundtetrahydrofurancarboxylic acid derivativegamma butyrolactonelactoneoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundacetalcarboxylic acid estersecondary alcoholhydrocarbon derivativephenoxy compoundoxaneorganoheterocyclic compoundorganooxygen compound |
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