| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 04:13:07 UTC |
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| Update Date | 2025-03-21 23:10:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00658200 |
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| Frequency | 2.4 |
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| Structure | |
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| Chemical Formula | C7H12O2 |
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| Molecular Mass | 128.0837 |
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| SMILES | CC(=O)CC(C)=C(C)O |
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| InChI Key | XGHZNNWMSBNDNX-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 | ketones |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | hydrocarbon derivativesorganic oxides |
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| Substituents | ketonealiphatic acyclic compoundorganic oxidehydrocarbon derivative |
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