| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 11:25:27 UTC |
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| Update Date | 2025-03-24 21:10:28 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01695378 |
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| Frequency | 0.7 |
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| Structure | |
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| Chemical Formula | C6H6O3 |
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| Molecular Mass | 126.0317 |
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| SMILES | CCC(=O)C(=O)C=C=O |
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| InChI Key | JCTOHGPNNACRJB-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 derivativesketenesorganic oxidesynolates |
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| Substituents | aliphatic acyclic compoundalpha-diketoneorganic oxideynolatehydrocarbon derivativeacryloyl-groupketeneenone |
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