| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:41:45 UTC |
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| Update Date | 2025-03-21 17:59:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00019239 |
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| Frequency | 213.4 |
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| Structure | |
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| Chemical Formula | C20H28O7 |
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| Molecular Mass | 380.1835 |
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| SMILES | CC1C(Oc2cc(O)cc(CC3CCC(=O)O3)c2)OC(C(O)O)C(C)C1C |
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| InChI Key | XWOLCBXNRNVUMU-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-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsacetalscarbonyl compoundscarbonyl hydratescarboxylic acid estersgamma butyrolactoneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundsoxanesphenoxy compoundstetrahydrofurans |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupcarbonyl hydratearomatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativelactoneorganic oxideacetaloxaneorganoheterocyclic compoundtetrahydrofuran1-hydroxy-4-unsubstituted benzenoidgamma butyrolactoneoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterphenolhydrocarbon derivativephenoxy compoundorganooxygen compound |
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