| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:50:15 UTC |
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| Update Date | 2025-03-21 18:51:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00181933 |
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| Frequency | 12.6 |
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| Structure | |
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| Chemical Formula | C5H6O2 |
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| Molecular Mass | 98.0368 |
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| SMILES | C=CC(=O)CC=O |
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| InChI Key | GRNDXOGZORGERT-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 compoundsalpha-hydrogen aldehydesenoneshydrocarbon derivativesketonesorganic oxidesshort-chain aldehydes |
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| Substituents | aliphatic acyclic compoundshort-chain aldehydebeta-ketoaldehydealpha,beta-unsaturated ketoneketoneorganic oxidealpha-hydrogen aldehydehydrocarbon derivativeacryloyl-groupenone |
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