| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:44:13 UTC |
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| Update Date | 2025-03-25 00:47:58 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02165255 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H14O2 |
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| Molecular Mass | 178.0994 |
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| SMILES | CC=C(C)C(=O)C1=C(C)CCC1=O |
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| InChI Key | JCQFWLRWRCZHPN-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-branched 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 | ketonealpha-branched alpha,beta-unsaturated-ketoneorganic oxidealiphatic homomonocyclic compoundhydrocarbon derivativecyclic ketone |
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