| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 04:40:06 UTC |
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| Update Date | 2025-03-24 14:00:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00722872 |
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| Frequency | 2.1 |
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| Structure | |
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| Chemical Formula | C9H16O |
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| Molecular Mass | 140.1201 |
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| SMILES | CCCC(C(C)=O)=C(C)C |
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| InChI Key | LMAMZNXXGFCOER-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 acyclic compounds |
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| Alternative Parents | acryloyl compoundsenoneshydrocarbon derivativesketonesorganic oxides |
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| Substituents | ketonealpha-branched alpha,beta-unsaturated-ketonealiphatic acyclic compoundorganic oxidehydrocarbon derivativeacryloyl-groupenone |
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