| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:31:16 UTC |
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| Update Date | 2025-03-21 18:41:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00136946 |
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| Frequency | 18.3 |
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| Structure | |
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| Chemical Formula | C9H14O4 |
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| Molecular Mass | 186.0892 |
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| SMILES | CCOC(=O)C1(O)CCCC(=O)C1 |
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| InChI Key | UQCFXOCQUUWYGL-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 homomonocyclic compounds |
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| Alternative Parents | carboxylic acid esterscyclic alcohols and derivativescyclic ketoneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxides |
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| Substituents | carbonyl groupcyclic ketonecyclic alcoholcarboxylic acid derivativeketonetertiary alcoholorganic oxidemonocarboxylic acid or derivativescarboxylic acid esteraliphatic homomonocyclic compoundhydrocarbon derivative |
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