| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:36:13 UTC |
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| Update Date | 2025-03-21 17:57:15 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00006644 |
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| Frequency | 771.7 |
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| Structure | |
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| Chemical Formula | C5H8O2 |
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| Molecular Mass | 100.0524 |
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| SMILES | CC(=O)C(C)C=O |
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| InChI Key | KNTLTMLEQPLVDA-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 | 1,3-dicarbonyl compoundshydrocarbon derivativesketonesorganic oxidesshort-chain aldehydes |
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| Substituents | ketonealiphatic acyclic compoundorganic oxideshort-chain aldehydebeta-ketoaldehydehydrocarbon derivative1,3-dicarbonyl compound |
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