| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:07:56 UTC |
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| Update Date | 2025-03-21 18:30:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00081249 |
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| Frequency | 35.7 |
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| Structure | |
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| Chemical Formula | C20H28O8 |
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| Molecular Mass | 396.1784 |
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| SMILES | COc1cc(CC2CCC(=O)O2)ccc1OC1OC(C(O)O)C(C)C(C)C1O |
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| InChI Key | VJXOWZSTECUGMI-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 | anisoles |
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| Direct Parent | anisoles |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | acetalsalkyl aryl etherscarbonyl compoundscarbonyl hydratescarboxylic acid estersgamma butyrolactoneshydrocarbon derivativesmethoxybenzenesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundsoxanesphenoxy compoundssecondary alcoholstetrahydrofurans |
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| Substituents | monocyclic benzene moietycarbonyl groupethercarbonyl hydratearomatic heteromonocyclic compoundalkyl aryl ethercarboxylic acid derivativelactoneorganic oxideacetaloxaneorganoheterocyclic compoundalcoholtetrahydrofuranmethoxybenzenegamma butyrolactoneoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundanisolecarboxylic acid estersecondary alcoholhydrocarbon derivativephenoxy compoundorganooxygen compound |
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