| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 07:32:41 UTC |
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| Update Date | 2025-03-24 22:15:46 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01136104 |
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| Frequency | 1.2 |
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| Structure | |
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| Chemical Formula | C7H9NO2 |
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| Molecular Mass | 139.0633 |
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| SMILES | O=C(O)C1=CN2CCC2C1 |
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| InChI Key | RCDBRGMJSMRAOJ-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 | amino acidsazacyclic compoundsazetidinescarbonyl compoundscarboxylic acidsenamineshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundspyrrolinestrialkylaminesvinylogous amides |
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| Substituents | carbonyl groupcarboxylic acidamino acid or derivativesamino acidcarboxylic acid derivativealiphatic heteropolycyclic compoundorganic oxideorganonitrogen compoundorganopnictogen compoundtertiary aminevinylogous amideazacycletertiary aliphatic amineazetidinemonocarboxylic acid or derivativesorganic oxygen compoundazepinepyrrolinehydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compoundenamine |
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