| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 01:53:44 UTC |
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| Update Date | 2025-03-21 20:06:49 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00328392 |
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| Frequency | 5.9 |
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| Structure | |
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| Chemical Formula | C6H12O3 |
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| Molecular Mass | 132.0786 |
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| SMILES | COC(=O)CC(C)CO |
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| InChI Key | KHAOBYSGIZKAMB-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 oxidesprimary alcohols |
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| Substituents | alcoholaliphatic acyclic compoundcarbonyl groupcarboxylic acid derivativeorganic oxidemonocarboxylic acid or derivativesfatty acid methyl estermethyl esterorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativeprimary alcoholorganooxygen compound |
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