| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:43:12 UTC |
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| Update Date | 2025-03-21 17:59:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00022483 |
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| Frequency | 176.3 |
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| Structure | |
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| Chemical Formula | C8H12O3 |
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| Molecular Mass | 156.0786 |
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| SMILES | CCCCCC(=O)C(O)=C=O |
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| InChI Key | MSZPRYYMNIWTHK-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-hydroxy ketones |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | acryloyl compoundsenoneshydrocarbon derivativesorganic oxidesynolates |
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| Substituents | aliphatic acyclic compoundorganic oxideynolatehydrocarbon derivativeacryloyl-groupalpha-hydroxy ketoneenone |
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