| Record Information |
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| HMDB Status | detected |
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| Creation Date | 2024-02-20 23:34:36 UTC |
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| Update Date | 2025-03-21 17:56:40 UTC |
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| HMDB ID | HMDB0030027 |
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| Metabolite Identification |
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| DeepMet ID | DMID00002868 |
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| Name | Methyl 3-methylbutanoate |
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| Frequency | 2069.3 |
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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 | COC(=O)CC(C)C |
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| InChI Key | OQAGVSWESNCJJT-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 methyl 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 derivativeorganic oxidemonocarboxylic acid or derivativesfatty acid methyl estermethyl esterorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativeorganooxygen compound |
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