| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:58:21 UTC |
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| Update Date | 2025-03-25 00:53:01 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02197426 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H16O2 |
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| Molecular Mass | 192.115 |
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| SMILES | CC=CC(=O)C1=C(C)C(C)(C)CC1=O |
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| InChI Key | CNIOJCJTLVMEFF-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,beta-unsaturated ketones |
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| Geometric Descriptor | aliphatic homomonocyclic compounds |
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| Alternative Parents | cyclic ketoneshydrocarbon derivativesorganic oxides |
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| Substituents | ketoneorganic oxidealiphatic homomonocyclic compoundhydrocarbon derivativecyclic ketonealpha,beta-unsaturated ketone |
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