| Record Information |
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| HMDB Status | detected |
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| Creation Date | 2024-02-20 23:37:03 UTC |
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| Update Date | 2025-03-21 17:57:33 UTC |
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| HMDB ID | HMDB0040209 |
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| Metabolite Identification |
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| DeepMet ID | DMID00008580 |
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| Name | Ethyl hexanoate |
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| Frequency | 570.2 |
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| Structure | |
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| Chemical Formula | C8H16O2 |
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| Molecular Mass | 144.115 |
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| SMILES | CCCCCC(=O)OCC |
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| InChI Key | SHZIWNPUGXLXDT-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 | aliphatic acyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acid estershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxides |
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| Substituents | aliphatic acyclic compoundfatty acid estercarbonyl grouporganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativecarboxylic acid derivativeorganooxygen compound |
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