| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:35:21 UTC |
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| Update Date | 2025-03-21 17:56:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00004660 |
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| Frequency | 1195.1 |
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| Structure | |
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| Chemical Formula | C6H8O2 |
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| Molecular Mass | 112.0524 |
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| SMILES | CC=CC(=O)C(C)=O |
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| InChI Key | VVZVXSHVLWHVPG-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 | acryloyl compoundsenoneshydrocarbon derivativesorganic oxides |
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| Substituents | aliphatic acyclic compoundorganic oxidehydrocarbon derivativeacryloyl-groupalpha,beta-unsaturated ketonealpha-diketoneenone |
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