| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:07:09 UTC |
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| Update Date | 2025-03-21 18:29:46 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00079372 |
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| Frequency | 36.7 |
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| Structure | |
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| Chemical Formula | C5H8O2 |
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| Molecular Mass | 100.0524 |
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| SMILES | COC=CC(C)=O |
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| InChI Key | VLLHEPHWWIDUSS-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 oxidesvinylogous esters |
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| Substituents | ketonealiphatic acyclic compoundcarbonyl grouporganic oxidevinylogous esterhydrocarbon derivativeacryloyl-groupalpha,beta-unsaturated ketoneenone |
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