| Record Information |
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| HMDB Status | quantified |
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| Creation Date | 2024-02-20 23:33:56 UTC |
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| Update Date | 2025-03-21 17:56:26 UTC |
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| HMDB ID | HMDB0003407 |
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| Metabolite Identification |
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| DeepMet ID | DMID00001337 |
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| Name | Diacetyl |
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| Frequency | 4354.0 |
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| Structure | |
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| Chemical Formula | C4H6O2 |
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| Molecular Mass | 86.0368 |
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| SMILES | CC(=O)C(C)=O |
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| InChI Key | QSJXEFYPDANLFS-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 | alpha-diketones |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | hydrocarbon derivativesorganic oxides |
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| Substituents | aliphatic acyclic compoundorganic oxidehydrocarbon derivativealpha-diketone |
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