| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:55:20 UTC |
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| Update Date | 2025-03-21 18:04:32 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00051241 |
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| Frequency | 63.8 |
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| Structure | |
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| Chemical Formula | C11H18O3 |
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| Molecular Mass | 198.1256 |
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| SMILES | O=C1CCC(CC2CCC(O)CC2)O1 |
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| InChI Key | QPSKTCKXHYFQKL-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 | cyclohexanols |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acid esterscyclic alcohols and derivativesgamma butyrolactoneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundstetrahydrofurans |
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| Substituents | carbonyl grouptetrahydrofurancyclohexanolcyclic alcoholcarboxylic acid derivativegamma butyrolactonelactoneoxacycleorganic oxidemonocarboxylic acid or derivativescarboxylic acid esteraliphatic heteromonocyclic compoundhydrocarbon derivativeorganoheterocyclic compound |
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