| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:38:15 UTC |
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| Update Date | 2025-03-21 17:57:58 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00011406 |
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| Frequency | 405.9 |
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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 | CCC(=O)CC=O |
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| InChI Key | ZNNXJRURXWWGLN-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 | alpha-hydrogen aldehydeshydrocarbon derivativesketonesorganic oxidesshort-chain aldehydes |
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| Substituents | ketonealiphatic acyclic compoundorganic oxideshort-chain aldehydealpha-hydrogen aldehydebeta-ketoaldehydehydrocarbon derivative |
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