| Record Information |
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| HMDB Status | expected |
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| Creation Date | 2024-02-21 00:06:34 UTC |
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| Update Date | 2025-03-21 18:29:32 UTC |
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| HMDB ID | HMDB0036216 |
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| Metabolite Identification |
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| DeepMet ID | DMID00077951 |
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| Name | Hexyl octanoate |
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| Frequency | 37.6 |
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| Structure | |
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| Chemical Formula | C14H28O2 |
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| Molecular Mass | 228.2089 |
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| SMILES | CCCCCCCC(=O)OCCCCCC |
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| InChI Key | PBGWNXWNCSSXCO-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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