| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:13 UTC |
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| Update Date | 2025-03-25 00:53:46 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02201764 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H18O3 |
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| Molecular Mass | 282.1256 |
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| SMILES | Cc1ccc(Oc2cccc(CC3CCC(=O)O3)c2)cc1 |
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| InChI Key | UJHICCCWVJOHJO-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 | carbonyl compoundscarboxylic acid estersdiarylethersgamma butyrolactoneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundsphenol ethersphenoxy compoundstetrahydrofuranstoluenes |
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| Substituents | diaryl etherphenol ethercarbonyl groupetheraromatic heteromonocyclic compoundtetrahydrofurancarboxylic acid derivativegamma butyrolactonelactoneoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativephenoxy compoundtoluenediphenyletherorganoheterocyclic compoundorganooxygen compound |
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