| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:37 UTC |
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| Update Date | 2025-03-25 00:45:59 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02152561 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C21H22O4 |
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| Molecular Mass | 338.1518 |
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| SMILES | C=CCc1ccc(Oc2ccc(CC3CCC(=O)O3)cc2OC)cc1 |
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| InChI Key | OVHKHKLHBODNJH-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 | benzene and substituted derivatives |
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| Subclass | diphenylethers |
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| Direct Parent | diphenylethers |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alkyl aryl ethersanisolescarbonyl compoundscarboxylic acid estersdiarylethersgamma butyrolactoneshydrocarbon derivativesmethoxybenzenesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundsphenoxy compoundstetrahydrofurans |
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| Substituents | diaryl etherphenol ethercarbonyl groupetheraromatic heteromonocyclic compoundalkyl aryl ethercarboxylic acid derivativelactoneorganic oxideorganoheterocyclic compoundtetrahydrofuranmethoxybenzenegamma butyrolactoneoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundanisolecarboxylic acid esterhydrocarbon derivativephenoxy compounddiphenyletherorganooxygen compound |
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