| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:48:27 UTC |
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| Update Date | 2025-03-25 00:49:32 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02174921 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H22O3 |
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| Molecular Mass | 202.1569 |
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| SMILES | CCCCCC(CCC)COC(=O)O |
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| InChI Key | MSBXEXBCLZOZQT-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 | organic carbonic acids and derivatives |
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| Subclass | carbonic acid monoesters |
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| Direct Parent | carbonic acid monoesters |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | carbonyl compoundshydrocarbon derivativesorganic oxides |
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| Substituents | aliphatic acyclic compoundcarbonyl grouporganic oxidecarbonic acid monoesterorganic oxygen compoundhydrocarbon derivativeorganooxygen compound |
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