| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:27:24 UTC |
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| Update Date | 2025-03-21 18:39:58 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00127992 |
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| Frequency | 19.9 |
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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(C)(O)CC=O |
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| InChI Key | HKXRCBUXVFAKDA-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-hydroxy aldehydes |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha-hydrogen aldehydeshydrocarbon derivativesorganic oxidestertiary alcohols |
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| Substituents | alcoholaliphatic acyclic compoundbeta-hydroxy aldehydetertiary alcoholorganic oxidealpha-hydrogen aldehydehydrocarbon derivative |
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