| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:13:50 UTC |
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| Update Date | 2025-03-21 18:33:19 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00095206 |
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| Frequency | 29.1 |
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| Structure | |
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| Chemical Formula | C13H18O2 |
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| Molecular Mass | 206.1307 |
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| SMILES | CCC(=O)C(=O)C1=C(C)C=CCC1(C)C |
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| InChI Key | UFPDRCUATZBALL-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-diketones |
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| Geometric Descriptor | aliphatic homomonocyclic compounds |
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| Alternative Parents | hydrocarbon derivativesorganic oxides |
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| Substituents | organic oxidealiphatic homomonocyclic compoundhydrocarbon derivativealpha-diketone |
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