Record Information |
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HMDB Status | expected |
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Creation Date | 2024-02-21 00:31:19 UTC |
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Update Date | 2025-03-21 18:41:58 UTC |
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HMDB ID | HMDB0031618 |
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Metabolite Identification |
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DeepMet ID | DMID00137083 |
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Name | Ethyl 4-phenylbutanoate |
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Frequency | 18.2 |
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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 | CCOC(=O)CCCc1ccccc1 |
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InChI Key | GGFNXKFGVQQNRV-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 esters |
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Geometric Descriptor | aromatic homomonocyclic compounds |
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Alternative Parents | benzene and substituted derivativescarbonyl compoundscarboxylic acid estershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxides |
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Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acid derivativearomatic homomonocyclic compoundfatty acid esterorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativebenzenoidorganooxygen compound |
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