| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:55:56 UTC |
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| Update Date | 2025-03-21 18:04:46 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00052650 |
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| Frequency | 61.7 |
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| Structure | |
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| Chemical Formula | C6H12O2 |
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| Molecular Mass | 116.0837 |
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| SMILES | CCC(CO)CC=O |
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| InChI Key | XUOUOKQGVRHQDN-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-hydrogen aldehydes |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | hydrocarbon derivativesorganic oxidesprimary alcohols |
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| Substituents | alcoholaliphatic acyclic compoundorganic oxidealpha-hydrogen aldehydehydrocarbon derivativeprimary alcohol |
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