| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:47:18 UTC |
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| Update Date | 2025-03-25 00:49:09 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02172272 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C22H30O8 |
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| Molecular Mass | 422.1941 |
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| SMILES | CCC1C(C)C(Oc2cc(CC3CCC(=O)O3)ccc2OC)C(O)C(O)C1C(=O)O |
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| InChI Key | ROVUJSMAZOTKLI-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 | 1,2-diolsalkyl aryl ethersbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidscyclitols and derivativescyclohexanolsdicarboxylic acids and derivativesgamma butyrolactoneshydrocarbon derivativesmethoxybenzenesorganic oxidesoxacyclic compoundsphenoxy compoundstetrahydrofurans |
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| Substituents | monocyclic benzene moietycarbonyl groupethercarboxylic acidaromatic heteromonocyclic compoundalkyl aryl ethercarboxylic acid derivativelactonebeta-hydroxy acidorganic oxideorganoheterocyclic compound1,2-diolalcoholtetrahydrofurancyclohexanolcyclitol or derivativeshydroxy acidcyclic alcoholmethoxybenzenegamma butyrolactoneoxacycleorganic oxygen compoundanisolecarboxylic acid estersecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativephenoxy compoundorganooxygen compound |
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