| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 01:54:34 UTC |
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| Update Date | 2025-03-21 20:07:17 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00330330 |
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| Frequency | 5.8 |
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| Structure | |
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| Chemical Formula | C7H12O3 |
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| Molecular Mass | 144.0786 |
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| SMILES | CCCC(=O)C(O)C(C)=O |
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| InChI Key | KWEAMNKMPMOQPB-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-diketones |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | acyloinsalpha-hydroxy ketoneshydrocarbon derivativesmonosaccharidesorganic oxidessecondary alcohols |
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| Substituents | alcoholaliphatic acyclic compoundmonosaccharidealpha-hydroxy ketoneketonesaccharideorganic oxideacyloinsecondary alcoholhydrocarbon derivative1,3-diketone |
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