| Record Information |
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| HMDB Status | detected |
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| Creation Date | 2024-02-20 23:34:06 UTC |
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| Update Date | 2025-03-21 17:56:29 UTC |
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| HMDB ID | HMDB0252077 |
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| Metabolite Identification |
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| DeepMet ID | DMID00001719 |
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| Name | Butanal, 2-oxo- |
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| Frequency | 3504.8 |
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| Structure | |
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| Chemical Formula | C4H6O2 |
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| Molecular Mass | 86.0368 |
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| SMILES | CCC(=O)C=O |
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| InChI Key | RWHQMRRVZJSKGX-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 ketoaldehydes |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | hydrocarbon derivativesketonesorganic oxidesshort-chain aldehydes |
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| Substituents | ketonealiphatic acyclic compoundorganic oxideshort-chain aldehydehydrocarbon derivativealpha-ketoaldehyde |
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