| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:36:49 UTC |
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| Update Date | 2025-03-21 17:57:28 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00008044 |
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| Frequency | 615.6 |
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| Structure | |
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| Chemical Formula | C12H18O |
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| Molecular Mass | 178.1358 |
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| SMILES | CC=CC(=O)C1=C(C)CCC1(C)C |
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| InChI Key | DLYTXERGDIBEQB-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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