| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:40:40 UTC |
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| Update Date | 2025-03-21 17:58:48 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00016836 |
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| Frequency | 252.7 |
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| Structure | |
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| Chemical Formula | C8H14O3 |
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| Molecular Mass | 158.0943 |
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| SMILES | COC(=O)C1(O)CCCCC1 |
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| InChI Key | PNEINDJVPFYBDT-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 homomonocyclic compounds |
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| Alternative Parents | carbonyl compoundscyclic alcohols and derivativeshydrocarbon derivativesmethyl estersmonocarboxylic acids and derivativesorganic oxidestertiary alcohols |
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| Substituents | carbonyl groupcyclohexanolcyclic alcoholcarboxylic acid derivativetertiary alcoholorganic oxidemonocarboxylic acid or derivativesmethyl estercarboxylic acid esteraliphatic homomonocyclic compoundhydrocarbon derivative |
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