| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 08:43:04 UTC |
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| Update Date | 2025-03-25 00:23:32 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01306659 |
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| Frequency | 1.0 |
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| Structure | |
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| Chemical Formula | C6H9NO |
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| Molecular Mass | 111.0684 |
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| SMILES | O=C1CN2CCCC12 |
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| InChI Key | CAHXYAPRFIWSBC-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 | azepanes |
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| Subclass | azepanes |
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| Direct Parent | azepanes |
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| Geometric Descriptor | aliphatic heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundsazetidineshydrocarbon derivativesketonesn-alkylpyrrolidinesorganic oxidesorganopnictogen compoundstrialkylamines |
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| Substituents | carbonyl groupazacyclen-alkylpyrrolidinetertiary aliphatic amineketoneazetidinealiphatic heteropolycyclic compoundorganic oxideazepaneorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundpyrrolidineaminetertiary amineorganooxygen compound |
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