| Record Information |
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| HMDB Status | detected |
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| Creation Date | 2024-02-20 23:33:24 UTC |
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| Update Date | 2025-03-21 17:56:05 UTC |
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| HMDB ID | HMDB0000753 |
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| Metabolite Identification |
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| DeepMet ID | DMID00000031 |
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| Name | 3-Hexanone |
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| Frequency | 34197.0 |
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| Structure | |
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| Chemical Formula | C6H12O |
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| Molecular Mass | 100.0888 |
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| SMILES | CCCC(=O)CC |
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| InChI Key | PFCHFHIRKBAQGU-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 acyclic compounds |
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| Alternative Parents | hydrocarbon derivativesorganic oxides |
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| Substituents | ketonealiphatic acyclic compoundorganic oxidehydrocarbon derivative |
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