| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:12:29 UTC |
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| Update Date | 2025-03-21 18:32:39 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00091938 |
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| Frequency | 30.5 |
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| Structure | |
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| Chemical Formula | C12H16O |
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| Molecular Mass | 176.1201 |
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| SMILES | CC=CC(=O)C1=C(C)C=CCC1C |
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| InChI Key | GBDGLQOQTYKOEG-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 | hydrocarbon derivativesketonesorganic oxides |
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| Substituents | ketoneorganic oxidealiphatic homomonocyclic compoundhydrocarbon derivativealpha,beta-unsaturated ketone |
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