| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:52:15 UTC |
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| Update Date | 2025-03-21 18:03:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00043948 |
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| Frequency | 77.1 |
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| Structure | |
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| Chemical Formula | C21H30O7 |
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| Molecular Mass | 394.1992 |
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| SMILES | COc1ccc(CC2CCC(=O)O2)cc1OC1OC(C(O)O)C(C)C(C)C1C |
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| InChI Key | QRVXGNCXLNGEDS-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 compoundstetrahydrofurans |
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| Substituents | monocyclic benzene moietycarbonyl groupethercarbonyl hydratearomatic heteromonocyclic compoundalkyl aryl ethercarboxylic acid derivativelactoneorganic oxideacetaloxaneorganoheterocyclic compoundtetrahydrofuranmethoxybenzenegamma butyrolactoneoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundanisolecarboxylic acid esterhydrocarbon derivativephenoxy compoundorganooxygen compound |
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