| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 05:34:01 UTC |
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| Update Date | 2025-03-24 14:29:02 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00852649 |
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| Frequency | 1.7 |
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| Structure | |
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| Chemical Formula | C7H9NO |
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| Molecular Mass | 123.0684 |
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| SMILES | O=C1NC2C=CCC1C2 |
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| InChI Key | KJKHEEYKLRFBKR-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | azepines |
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| Subclass | azepines |
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| Direct Parent | azepines |
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| Geometric Descriptor | aliphatic heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativeslactamsorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolidine-2-onessecondary carboxylic acid amides |
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| Substituents | 2-pyrrolidonecarbonyl grouplactamazacyclecarboxamide groupcarboxylic acid derivativealiphatic heteropolycyclic compoundsecondary carboxylic acid amideorganic oxideorganic oxygen compoundazepineorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundpyrrolidinepyrrolidoneorganooxygen compound |
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