| Record Information |
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| HMDB Status | expected |
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| Creation Date | 2024-02-20 23:59:29 UTC |
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| Update Date | 2025-03-21 18:06:05 UTC |
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| HMDB ID | HMDB0033618 |
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| Metabolite Identification |
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| DeepMet ID | DMID00060947 |
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| Name | 3-Methylbutyl hexanoate |
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| Frequency | 51.2 |
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| Structure | |
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| Chemical Formula | C11H22O2 |
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| Molecular Mass | 186.162 |
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| SMILES | CCCCCC(=O)OCCC(C)C |
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| InChI Key | XVSZRAWFCDHCBP-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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