| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:58:02 UTC |
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| Update Date | 2025-03-21 18:05:32 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00057485 |
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| Frequency | 55.2 |
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| Structure | |
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| Chemical Formula | C16H20O7 |
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| Molecular Mass | 324.1209 |
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| SMILES | COc1cc(C2C(O)C(O)C3COC(=O)C32)cc(OC)c1OC |
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| InChI Key | VBHKZROHYNIQEK-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 heteropolycyclic compounds |
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| Alternative Parents | 1,2-diolsalkyl aryl etherscarbonyl compoundscarboxylic acid esterscyclic alcohols and derivativesgamma butyrolactoneshydrocarbon derivativesmethoxybenzenesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundsphenoxy compoundssecondary alcoholstetrahydrofurans |
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| Substituents | monocyclic benzene moietycarbonyl groupetheralkyl aryl ethercarboxylic acid derivativelactoneorganic oxidearomatic heteropolycyclic compoundorganoheterocyclic compound1,2-diolalcoholtetrahydrofurancyclic alcoholmethoxybenzenegamma butyrolactoneoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundanisolecarboxylic acid estersecondary alcoholhydrocarbon derivativephenoxy compoundorganooxygen compound |
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