| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 01:36:53 UTC |
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| Update Date | 2025-03-21 19:59:12 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00289605 |
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| Frequency | 6.9 |
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| Structure | |
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| Chemical Formula | C6H8O2 |
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| Molecular Mass | 112.0524 |
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| SMILES | CCC=CC(=O)C=O |
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| InChI Key | XTXIMOHZXQXNJJ-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 | medium-chain aldehydes |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | acryloyl compoundsalpha ketoaldehydesenoneshydrocarbon derivativesketonesorganic oxides |
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| Substituents | aliphatic acyclic compoundalpha,beta-unsaturated ketonemedium-chain aldehydeketoneorganic oxidehydrocarbon derivativeacryloyl-groupalpha-ketoaldehydeenone |
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