| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 07:28:24 UTC |
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| Update Date | 2025-03-24 22:14:06 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01126301 |
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| Frequency | 1.2 |
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| Structure | |
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| Chemical Formula | C5H9NO3 |
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| Molecular Mass | 131.0582 |
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| SMILES | NC(CO)C(=O)C=CO |
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| InChI Key | XTARSKHFDWKKMD-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 | b'-hydroxy-alpha,beta-unsaturated ketones |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | acryloyl compoundsbeta-hydroxy ketonesenoneshydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsprimary alcoholsvinylogous acids |
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| Substituents | alcoholbeta-hydroxy ketonealiphatic acyclic compoundb'-hydroxy-alpha,beta-unsaturated-ketoneketonevinylogous acidorganic oxideorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeacryloyl-groupprimary aliphatic amineorganic nitrogen compoundprimary alcoholenone |
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