| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:19:28 UTC |
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| Update Date | 2025-03-25 01:00:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02245869 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C22H34O7 |
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| Molecular Mass | 410.2305 |
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| SMILES | CC1C(Oc2ccc(CC3CCC(C(O)CO)O3)cc2)OC(C(O)O)C(C)C1C |
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| InChI Key | OEAUXDCWKZXELE-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 | 1,1-diols1,2-diolsacetalscarbonyl hydratesdialkyl ethershydrocarbon derivativesoxacyclic compoundsoxanesphenoxy compoundsprimary alcoholssecondary alcoholstetrahydrofurans |
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| Substituents | alcoholphenol ethermonocyclic benzene moietyethercarbonyl hydratearomatic heteromonocyclic compoundtetrahydrofuran1,1-dioldialkyl etheroxacycleorganic oxygen compoundacetalsecondary alcoholhydrocarbon derivativephenoxy compoundoxaneprimary alcoholorganoheterocyclic compoundorganooxygen compound1,2-diol |
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