| Record Information |
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| HMDB Status | detected |
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| Creation Date | 2024-02-20 23:37:50 UTC |
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| Update Date | 2025-03-21 17:57:49 UTC |
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| HMDB ID | HMDB0031478 |
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| Metabolite Identification |
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| DeepMet ID | DMID00010431 |
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| Name | Methyl heptanoate |
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| Frequency | 451.7 |
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| Structure | |
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| Chemical Formula | C8H16O2 |
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| Molecular Mass | 144.115 |
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| SMILES | CCCCCCC(=O)OC |
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| InChI Key | XNCNNDVCAUWAIT-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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