| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 03:25:41 UTC |
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| Update Date | 2025-03-21 22:18:19 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00546177 |
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| Frequency | 3.0 |
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| Structure | |
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| Chemical Formula | C8H12O2 |
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| Molecular Mass | 140.0837 |
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| SMILES | C=CC(=O)CCC(O)=CC |
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| InChI Key | XKTUFQYTXNISPS-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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