| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:45:32 UTC |
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| Update Date | 2025-03-21 18:50:00 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00170577 |
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| Frequency | 13.7 |
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| Structure | |
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| Chemical Formula | C7H12O |
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| Molecular Mass | 112.0888 |
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| SMILES | CCCC(=O)C1CC1 |
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| InChI Key | BQZDDAHAABBWRC-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 | carbonyl compounds |
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| Direct Parent | ketones |
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| Geometric Descriptor | aliphatic homomonocyclic compounds |
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| Alternative Parents | hydrocarbon derivativesorganic oxides |
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| Substituents | ketoneorganic oxidealiphatic homomonocyclic compoundhydrocarbon derivative |
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