| Record Information |
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| HMDB Status | expected |
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| Creation Date | 2024-02-20 23:43:14 UTC |
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| Update Date | 2025-03-21 17:59:40 UTC |
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| HMDB ID | HMDB0036385 |
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| Metabolite Identification |
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| DeepMet ID | DMID00022540 |
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| Name | Methyl 4-phenylbutanoate |
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| Frequency | 175.8 |
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| Structure | |
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| Chemical Formula | C11H14O2 |
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| Molecular Mass | 178.0994 |
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| SMILES | COC(=O)CCCc1ccccc1 |
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| InChI Key | YRYZGVBKMWFWGT-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | lipids and lipid-like molecules |
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| Class | fatty acyls |
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| Subclass | fatty acid esters |
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| Direct Parent | fatty acid methyl esters |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | benzene and substituted derivativescarbonyl compoundshydrocarbon derivativesmethyl estersmonocarboxylic acids and derivativesorganic oxides |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acid derivativearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesfatty acid methyl estermethyl esterorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativebenzenoidorganooxygen compound |
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