| Record Information |
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| HMDB Status | detected |
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| Creation Date | 2024-02-20 23:33:35 UTC |
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| Update Date | 2025-03-21 17:56:10 UTC |
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| HMDB ID | HMDB0245506 |
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| Metabolite Identification |
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| DeepMet ID | DMID00000467 |
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| Name | 2,5-Hexanedione |
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| Frequency | 10990.5 |
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| Structure | |
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| Chemical Formula | C6H10O2 |
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| Molecular Mass | 114.0681 |
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| SMILES | CC(=O)CCC(C)=O |
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| InChI Key | OJVAMHKKJGICOG-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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