| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 09:31:08 UTC |
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| Update Date | 2025-03-24 20:21:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01422003 |
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| Frequency | 0.9 |
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| Structure | |
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| Chemical Formula | C7H13NO2 |
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| Molecular Mass | 143.0946 |
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| SMILES | CC=CC(=O)C(N)C(C)O |
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| InChI Key | QLWMSSULOFMNBD-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 compoundssecondary alcohols |
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| Substituents | alcoholbeta-hydroxy ketonealiphatic acyclic compoundb'-hydroxy-alpha,beta-unsaturated-ketoneketoneorganic oxideorganonitrogen compoundsecondary alcoholorganopnictogen compoundhydrocarbon derivativeacryloyl-groupprimary aliphatic amineorganic nitrogen compoundenone |
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