| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:22:50 UTC |
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| Update Date | 2025-03-25 01:02:04 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02253528 |
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| Frequency | 0.5 |
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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 | C=CC(=O)CC(O)=C=O |
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| InChI Key | NEPSYPMSPRJCTF-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 | b'-hydroxy-alpha,beta-unsaturated ketones |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | acryloyl compoundsbeta-hydroxy ketonesenoneshydrocarbon derivativesorganic oxidesynolates |
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| Substituents | beta-hydroxy ketonealiphatic acyclic compoundb'-hydroxy-alpha,beta-unsaturated-ketoneketoneorganic oxideynolatehydrocarbon derivativeacryloyl-groupenone |
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