| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:24:47 UTC |
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| Update Date | 2025-03-21 18:38:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00121847 |
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| Frequency | 21.2 |
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| Structure | |
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| Chemical Formula | C8H12O2 |
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| Molecular Mass | 140.0837 |
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| SMILES | CC=CC(=O)C(C)C(C)=O |
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| InChI Key | IQSGLWJMVRLMMM-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 | beta-diketones |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | acryloyl compoundsenoneshydrocarbon derivativesketonesorganic oxides |
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| Substituents | aliphatic acyclic compoundalpha,beta-unsaturated ketoneketoneorganic oxidehydrocarbon derivativeacryloyl-group1,3-diketoneenone |
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