| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 12:56:30 UTC |
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| Update Date | 2025-03-24 21:50:58 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01911149 |
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| Frequency | 0.6 |
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| Structure | |
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| Chemical Formula | C5H5NO |
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| Molecular Mass | 95.0371 |
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| SMILES | C=CC(=O)CC#N |
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| InChI Key | OLGYAOFWACOZCU-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 derivativesketonesnitrilesorganic oxidesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | aliphatic acyclic compoundcarbonyl groupnitrilealpha,beta-unsaturated ketoneketoneorganic oxideorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeacryloyl-grouporganic nitrogen compoundcarbonitrileenone |
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