| Record Information |
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| HMDB Status | expected |
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| Creation Date | 2024-02-21 15:00:14 UTC |
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| Update Date | 2025-03-25 00:53:45 UTC |
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| HMDB ID | HMDB0037709 |
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| Metabolite Identification |
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| DeepMet ID | DMID02201776 |
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| Name | 4-Methylphenyl 3-methylbutanoate |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H16O2 |
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| Molecular Mass | 192.115 |
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| SMILES | Cc1ccc(OC(=O)CC(C)C)cc1 |
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| InChI Key | MVDPTWHTUYDLTL-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 esters |
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| Subclass | phenol esters |
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| Direct Parent | phenol esters |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acid estersfatty acid estershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesphenoxy compoundstoluenes |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl groupcarboxylic acid derivativearomatic homomonocyclic compoundfatty acid esterorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterphenol esterhydrocarbon derivativephenoxy compoundtolueneorganooxygen compound |
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