| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 02:05:42 UTC |
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| Update Date | 2025-03-21 20:47:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00356512 |
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| Frequency | 5.3 |
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| Structure | |
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| Chemical Formula | C6H8O3 |
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| Molecular Mass | 128.0473 |
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| SMILES | CC(=O)C(C)C(=O)C=O |
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| InChI Key | OQYGUGGUHGKPLC-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 | alpha ketoaldehydeshydrocarbon derivativesketonesorganic oxides |
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| Substituents | ketonealiphatic acyclic compoundorganic oxidealdehydehydrocarbon derivativealpha-ketoaldehyde1,3-diketone |
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