| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 03:01:19 UTC |
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| Update Date | 2025-03-21 22:04:09 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00488238 |
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| Frequency | 3.5 |
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| Structure | |
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| Chemical Formula | C5H8O3 |
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| Molecular Mass | 116.0473 |
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| SMILES | CC(O)C(=O)CC=O |
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| InChI Key | MVMPGSWBSGQCJD-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 | acyloinsalpha-hydrogen aldehydesalpha-hydroxy ketoneshydrocarbon derivativesorganic oxidessecondary alcoholsshort-chain aldehydes |
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| Substituents | alcoholaliphatic acyclic compoundshort-chain aldehydebeta-ketoaldehydealpha-hydroxy ketoneketoneorganic oxidealpha-hydrogen aldehydeacyloinsecondary alcoholhydrocarbon derivative |
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