| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 05:59:08 UTC |
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| Update Date | 2025-03-24 16:35:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00912233 |
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| Frequency | 1.6 |
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| Structure | |
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| Chemical Formula | C6H7NO2 |
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| Molecular Mass | 125.0477 |
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| SMILES | NC1C(=O)C=CCC1=O |
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| InChI Key | WALQKIOZKTZITJ-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 | quinones |
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| Geometric Descriptor | aliphatic homomonocyclic compounds |
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| Alternative Parents | beta-diketonescyclohexenoneshydrocarbon derivativesm-benzoquinonesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | cyclohexenoneorganic oxideorganonitrogen compoundaliphatic homomonocyclic compoundorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compound1,3-dicarbonyl compoundm-benzoquinone1,3-diketonequinone |
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