| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 12:15:50 UTC |
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| Update Date | 2025-03-24 21:33:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01815507 |
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| Frequency | 0.7 |
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| Structure | |
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| Chemical Formula | C5H5NO2 |
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| Molecular Mass | 111.032 |
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| SMILES | NC1C(=O)C=CC1=O |
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| InChI Key | DPCBQGKPVJNYAL-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 | beta-diketones |
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| Geometric Descriptor | aliphatic homomonocyclic compounds |
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| Alternative Parents | cyclic ketoneshydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | cyclic ketoneketoneorganic oxideorganonitrogen compoundaliphatic homomonocyclic compoundorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compound1,3-diketone |
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