| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:23:20 UTC |
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| Update Date | 2025-03-21 18:38:00 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00118452 |
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| Frequency | 22.1 |
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| Structure | |
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| Chemical Formula | C7H12O4 |
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| Molecular Mass | 160.0736 |
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| SMILES | COC(=O)CC(C)C(=O)OC |
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| InChI Key | NFOQJNGQQXICBY-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 compoundsdicarboxylic acids and derivativeshydrocarbon derivativesmethyl estersorganic oxides |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acid derivativeorganic oxidefatty acid methyl estermethyl esterorganic oxygen compoundcarboxylic acid esterdicarboxylic acid or derivativeshydrocarbon derivativeorganooxygen compound |
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