| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:53:33 UTC |
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| Update Date | 2025-03-21 18:03:52 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00047082 |
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| Frequency | 70.8 |
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| Structure | |
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| Chemical Formula | C7H14O3 |
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| Molecular Mass | 146.0943 |
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| SMILES | CCC(=O)OCC(C)(C)O |
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| InChI Key | PSGDYXAAFUWQEX-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | alcohols and polyols |
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| Direct Parent | tertiary alcohols |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acid estershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxides |
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| Substituents | aliphatic acyclic compoundcarbonyl grouptertiary alcoholorganic oxidemonocarboxylic acid or derivativescarboxylic acid esterhydrocarbon derivativecarboxylic acid derivative |
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