| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:51:45 UTC |
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| Update Date | 2025-03-21 18:03:12 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00042718 |
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| Frequency | 79.9 |
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| Structure | |
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| Chemical Formula | C13H18O |
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| Molecular Mass | 190.1358 |
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| SMILES | C=C(C)C(=O)C1=C(C)C=CCC1(C)C |
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| InChI Key | ROTKNXZHHXFMHT-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 | hydrocarbon derivativesketonesorganic oxides |
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| Substituents | ketonealpha-branched alpha,beta-unsaturated-ketoneorganic oxidealiphatic homomonocyclic compoundhydrocarbon derivative |
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