| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 08:42:30 UTC |
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| Update Date | 2025-03-25 00:23:20 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01305410 |
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| Frequency | 1.0 |
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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(=C=O)C=O |
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| InChI Key | AFRNDIVYWKNWLT-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 ketoaldehydes |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | acryloyl compoundsenoneshydrocarbon derivativesketenesketonesorganic oxidesynolates |
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| Substituents | aliphatic acyclic compoundbeta-ketoaldehydeketoneorganic oxideynolatehydrocarbon derivativeacryloyl-groupketeneenone |
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