| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:55:17 UTC |
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| Update Date | 2025-03-21 18:04:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00051149 |
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| Frequency | 63.9 |
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| Structure | |
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| Chemical Formula | C12H24O3 |
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| Molecular Mass | 216.1725 |
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| SMILES | CC(C)C(=O)OCC(C)(C)C(O)C(C)C |
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| InChI Key | DAFHKNAQFPVRKR-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | carboxylic acid derivatives |
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| Direct Parent | carboxylic acid esters |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | carbonyl compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidessecondary alcohols |
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| Substituents | alcoholaliphatic acyclic compoundcarbonyl grouporganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid estersecondary alcoholhydrocarbon derivativeorganooxygen compound |
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