| Record Information |
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| HMDB Status | expected |
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| Creation Date | 2024-02-21 00:31:22 UTC |
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| Update Date | 2025-03-21 18:41:59 UTC |
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| HMDB ID | HMDB0033166 |
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| Metabolite Identification |
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| DeepMet ID | DMID00137199 |
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| Name | Octyl octanoate |
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| Frequency | 18.2 |
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| Structure | |
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| Chemical Formula | C16H32O2 |
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| Molecular Mass | 256.2402 |
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| SMILES | CCCCCCCCOC(=O)CCCCCCC |
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| InChI Key | DJNTZVRUYMHBTD-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 alcohol esters |
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| Direct Parent | fatty alcohol esters |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acid estersfatty acid estershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxides |
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| Substituents | aliphatic acyclic compoundcarbonyl groupfatty alcohol estercarboxylic acid derivativefatty acid esterorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativeorganooxygen compound |
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