| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 10:16:39 UTC |
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| Update Date | 2025-03-24 20:41:13 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01530178 |
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| Frequency | 0.8 |
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| Structure | |
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| Chemical Formula | C8H11NO |
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| Molecular Mass | 137.0841 |
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| SMILES | CCC1=C2CCCN2C1=O |
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| InChI Key | BYYKRUNIPUDNIE-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 compoundspyrrolidinestertiary carboxylic acid amidesvinylogous amides |
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| Substituents | vinylogous amidecarbonyl grouplactamazacyclecarboxamide groupcarboxylic acid derivativealiphatic heteropolycyclic compoundorganic oxideorganic oxygen compoundazepinetertiary carboxylic acid amideorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundpyrrolidineorganooxygen compound |
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