| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:11:26 UTC |
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| Update Date | 2025-03-21 18:32:09 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00089413 |
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| Frequency | 31.6 |
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| Structure | |
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| Chemical Formula | C21H30O8 |
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| Molecular Mass | 410.1941 |
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| SMILES | COc1cc(CC2CCC(=O)O2)cc(OC2OC(C(O)O)C(C)C(C)C2C)c1O |
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| InChI Key | RGCHGVQKQYZHED-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 | phenols |
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| Subclass | methoxyphenols |
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| Direct Parent | methoxyphenols |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | acetalsalkyl aryl ethersanisolescarbonyl compoundscarbonyl hydratescarboxylic acid estersgamma butyrolactoneshydrocarbon derivativesmethoxybenzenesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundsoxanesphenoxy compoundstetrahydrofurans |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarbonyl hydratearomatic heteromonocyclic compoundmethoxyphenolalkyl aryl ethercarboxylic acid derivativelactoneorganic oxideacetaloxaneorganoheterocyclic compoundtetrahydrofuranmethoxybenzenegamma butyrolactoneoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundanisolecarboxylic acid esterhydrocarbon derivativephenoxy compoundorganooxygen compound |
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