| Record Information |
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| HMDB Status | expected |
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| Creation Date | 2024-02-21 00:14:39 UTC |
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| Update Date | 2025-03-21 18:33:43 UTC |
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| HMDB ID | HMDB0059868 |
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| Metabolite Identification |
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| DeepMet ID | DMID00097215 |
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| Name | Isobutyl octanoate |
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| Frequency | 28.4 |
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| Structure | |
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| Chemical Formula | C12H24O2 |
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| Molecular Mass | 200.1776 |
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| SMILES | CCCCCCCC(=O)OCC(C)C |
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| InChI Key | CFQRBRGFNFRMBD-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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