| Record Information |
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| HMDB Status | expected |
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| Creation Date | 2024-02-20 23:35:00 UTC |
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| Update Date | 2025-03-21 17:56:50 UTC |
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| HMDB ID | HMDB0031550 |
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| Metabolite Identification |
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| DeepMet ID | DMID00003849 |
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| Name | 5-Methyl-3-hexen-2-one |
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| Frequency | 1498.4 |
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| Structure | |
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| Chemical Formula | C7H12O |
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| Molecular Mass | 112.0888 |
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| SMILES | CC(=O)C=CC(C)C |
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| InChI Key | IYMKNYVCXUEFJE-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 | acryloyl compounds |
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| Direct Parent | acryloyl compounds |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | enoneshydrocarbon derivativesketonesorganic oxides |
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| Substituents | ketonealiphatic acyclic compoundcarbonyl grouporganic oxidehydrocarbon derivativeacryloyl-groupalpha,beta-unsaturated ketoneenone |
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