| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:44:40 UTC |
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| Update Date | 2025-03-25 00:48:08 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02166307 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H22O3 |
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| Molecular Mass | 226.1569 |
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| SMILES | CC1CC(=O)OC1CCC1CCC(O)CC1 |
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| InChI Key | ODHFCOMIBUGONP-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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