| Record Information |
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| HMDB Status | detected |
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| Creation Date | 2024-02-20 23:34:23 UTC |
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| Update Date | 2025-03-21 17:56:36 UTC |
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| HMDB ID | HMDB0029762 |
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| Metabolite Identification |
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| DeepMet ID | DMID00002372 |
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| Name | Methyl (S)-2-Methylbutanoate |
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| Frequency | 2573.6 |
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| Structure | |
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| Chemical Formula | C6H12O2 |
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| Molecular Mass | 116.0837 |
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| SMILES | CCC(C)C(=O)OC |
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| InChI Key | OCWLYWIFNDCWRZ-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 compoundshydrocarbon derivativesmethyl estersmonocarboxylic acids and derivativesorganic oxides |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acid derivativefatty acid esterorganic oxidemonocarboxylic acid or derivativesmethyl esterorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativeorganooxygen compound |
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