| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:07:20 UTC |
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| Update Date | 2025-03-25 00:56:25 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02218308 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H16O3 |
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| Molecular Mass | 160.1099 |
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| SMILES | COC(=O)C(C)(C)CC(C)O |
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| InChI Key | IMJJORPKOTXUJB-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 compoundshydrocarbon derivativesmethyl estersmonocarboxylic acids and derivativesorganic oxidessecondary alcohols |
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| Substituents | alcoholaliphatic acyclic compoundcarbonyl groupcarboxylic acid derivativefatty acid esterorganic oxidemonocarboxylic acid or derivativesmethyl esterorganic oxygen compoundcarboxylic acid estersecondary alcoholhydrocarbon derivativeorganooxygen compound |
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