| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 06:10:16 UTC |
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| Update Date | 2025-03-24 16:42:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00939144 |
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| Frequency | 1.5 |
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| Structure | |
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| Chemical Formula | C6H9NO2 |
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| Molecular Mass | 127.0633 |
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| SMILES | NC(=C=O)CCCC=O |
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| InChI Key | IUNYSBJNSUEFKF-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 | alpha-hydrogen aldehydes |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | hydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsynolates |
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| Substituents | aliphatic acyclic compoundorganic oxideynolatealpha-hydrogen aldehydeorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compound |
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