| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 07:11:11 UTC |
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| Update Date | 2025-03-24 19:56:25 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01084145 |
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| Frequency | 1.3 |
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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 | O=C1CC=CCC(=O)N1 |
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| InChI Key | CCEHUZJNDSXPCB-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 heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acids and derivativesdicarboximideshydrocarbon derivativesn-unsubstituted carboxylic acid imidesorganic oxidesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | carbonyl groupazacyclecarboxylic acid derivativecarboxylic acid imidecarboxylic acid imide, n-unsubstitutedorganic oxideorganic oxygen compoundazepinealiphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativedicarboximideorganic nitrogen compoundorganooxygen compound |
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