| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:52:38 UTC |
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| Update Date | 2025-03-21 18:03:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00044885 |
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| Frequency | 75.2 |
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| Structure | |
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| Chemical Formula | C7H12O2 |
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| Molecular Mass | 128.0837 |
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| SMILES | CC(C)=CC(=O)C(C)O |
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| InChI Key | NYNXTKYUUVBWJL-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 | acyloins |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | acryloyl compoundsalpha-hydroxy ketonesenoneshydrocarbon derivativesorganic oxidessecondary alcohols |
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| Substituents | alcoholaliphatic acyclic compoundalpha,beta-unsaturated ketonealpha-hydroxy ketoneketoneorganic oxideacyloinsecondary alcoholhydrocarbon derivativeacryloyl-groupenone |
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