| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 10:09:11 UTC |
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| Update Date | 2025-03-24 20:37:46 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01511902 |
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| Frequency | 0.8 |
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| Structure | |
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| Chemical Formula | C6H6O4 |
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| Molecular Mass | 142.0266 |
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| SMILES | CCC(=O)C(=O)C(O)=C=O |
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| InChI Key | SLYIWWPDGHRJQZ-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 compoundsalpha-hydroxy ketonesbeta-hydroxy ketonesenoneshydrocarbon derivativesorganic oxidesynolates |
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| Substituents | beta-hydroxy ketonealiphatic acyclic compoundalpha-hydroxy ketonealpha-diketoneorganic oxideynolatehydrocarbon derivativeacryloyl-groupenone |
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